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  • 1.
    Ivanov, Alexander
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Gerasimenko, Andrey
    Far Eastern Branch of the Russian Academy of Sciences.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    The unique alternation of conformationally different ('chair'-'saddle') eight-membered metallocycles [Cd2S4P2] in the chains of cadmium dialkyldithiophosphates: 13C, 31P, 113Cd CP/MAS NMR and single-crystal X-ray diffraction studies2005In: Inorganica Chimica Acta, ISSN 0020-1693, E-ISSN 1873-3255, Vol. 358, no 9, p. 2585-2594Article in journal (Refereed)
    Abstract [en]

    O,O′-Dipropyldithiophosphate and O,O′-dibutyldithiophosphate (Dtph) cadmium(II) complexes were prepared and studied by means of heteronuclear 31P, 113Cd, 31C CP/MAS NMR spectroscopy and single-crystal X-ray diffraction. Linear-chain polynuclear structures have been established for both cadmium(II) complexes, in which each pair of equivalent dithiophosphate groups, playing the same bridging structural function, asymmetrically links the neighbouring cadmium atoms. One remarkable structural feature of the synthesised cadmium(II) compounds is defined by the alternation of two types of conformationally different (‘chair'-‘saddle') eight-membered rings [Cd2S4P2] in the polymeric chains. Therefore, in both 31P NMR and XRD data, the bridging dithiophosphate ligands exhibit structural inequivalence in pairs. The structural states of both Dtph ligands and cadmium atoms have been characterised by the 31P and 113Cd chemical shift tensors, which display a profound axially symmetric and mainly rhombic characters, respectively. All experimental 31P resonances were assigned to the phosphorus structural sites in both resolved structures.

  • 2.
    Ivanov, Alexander
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Korneeva, Eugenia V.
    Far Eastern Branch of the Russian Academy of Sciences, 675000, Blagoveschensk, Amur Region.
    Lutsenko, Irina A.
    Far Eastern Branch of the Russian Academy of Sciences, 675000, Blagoveschensk, Amur Region.
    Gerasimenko, Andrey V.
    Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences, 690022, Vladivostok.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Larsson, Anna-Carin
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Sergienko, Valentin I.
    Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences, 690022, Vladivostok.
    A fixation mode of gold from solutions using heterogeneous reaction of cadmium dicyclohexyl dithiophosphate with H[AuCl4]. Structural and (13C, 31P) CP/MAS NMR studies and thermal behaviour of crystalline polymeric gold(I) dicyclohexyl dithiophosphate and bis(dicyclohexylthiophosphoryl) disulphide2013In: Journal of Molecular Structure, ISSN 0022-2860, E-ISSN 1872-8014, Vol. 1034, p. 152-161Article in journal (Refereed)
    Abstract [en]

    Two novel compounds: polynuclear catena-poly[bis(3-O,O’-di-cyclo-hexyldithiophosphato-S,S,S’)digold(I)] (Au–Au) (1) and crystalline bis(O,O’-di-cyclo-hexylthiophosphoryl)disulphide, (cyclo-C6H11O)2P(S)S–S(S)P(O-cyclo-C6H11) (2) were prepared using heterogeneous reaction between freshly precipitated binuclear cadmium(II) dithiophosphate (Dtph), [Cd2{S2P(O-cyclo-C6H11}4] and H[AuCl4] in 2 M hydrochloric acid. The isolated compounds 1 and 2 (the fixation mode of gold from the solution and the oxidised form of Dtph groups, respectively) have been studied by means of single-crystal X-ray diffraction, 13C and 31P cross-polarisation / magic-angle-spinning (CP/MAS) NMR spectroscopy and simultaneous thermal analysis (STA). Centrosymmetric binuclear molecule of 1, [Au2{S2P(O-cyclo-C6H11)2}2] comprises a pair of -bridging di-cyclo-hexyl Dtph ligands, linking two neighbouring gold atoms, and displays additional intramolecular aurophilic bond Au···Au. At the supramolecular level of structural self-organisation of complex 1, infinite polymeric zigzag chains arise due to pairs of the secondary bonds Au···S between neighbouring binuclear molecules. Centrosymmetric molecule of 2 displays two O,O-di-cyclo-hexythiophosphoryl fragments, which are connected by the chemical bond S(1)–S(1)a, and a planar zigzag array [S=P–S–S–P=S] passing through the central part of the molecule. To characterise additionally the Dtph groups in both compounds 1 and 2, chemical shift anisotropy (CSA) parameters (aniso and) were calculated from spinning sideband manifolds in experimental 31P MAS NMR spectra. The thermal behaviour of complex 1 was studied using simultaneous thermal analysis (a combination of TG and DSC) under an argon atmosphere. The thermal behaviour displays stepwise mass loss, comprising thermal decompositions of the organic and inorganic parts of 1 with gold(I) dithio-meta-phosphate and reduced metallic gold as the intermediate and the final products, respectively.

  • 3.
    Ivanov, Alexander
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Korneeva, E.V.
    Institute of Geology and Nature Management, Far East Branch, Russian Academy of Sciences, Blagoveshchensk.
    Bukvetskii, B.V.
    Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences, 690022, Vladivostok.
    Goryan, Alexander S.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Structural organization of mercury(II) and copper(II) dithiocarbamates from EPR and 13C and 15N MAS NMR spectra and X-ray diffraction analysis2008In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 34, no 1, p. 59-69Article in journal (Refereed)
    Abstract [en]

    The structures and spectroscopic properties of mononuclear and binuclear mercury(II) and copper(II) complexes with four dithiocarbamate ligands R 2NC(S)S- (R = CH3, C2H5, or iso-C3H7; R2 = (CH2)6) were studied by solid-state 13C and 15N CP/MAS NMR and EPR spectroscopy. Mercury(II) N,N-cyclohexamethylenedithiocarbamate [Hg 2{S2CN(CH2)6}4] was obtained and characterized in detail by X-ray diffraction analysis at 299 K. The binuclear molecule of the complex is centrosymmetric; the central tricyclic fragment [Hg2S4C2] is in the chair conformation. In the 13C and 15N NMR spectra, the signals were assigned to the dithiocarbamate ligands with different structural functions: bidentate chelating and combined (both chelating and bridging) ones. The differences between the isotropic 15N chemical shifts for the dialkyldithiocarbamate ligands were interpreted in terms of combination of the mesomeric effect of the =NC(S)S-groups and the inductive effect of the alkyl substituents. According to the EPR data, copper(II) in magnetically diluted systems is mainly found in heterobinuclear molecules [CuHg(S2CNR 2)4] and the geometry of the chromophores [CuS 5] approximates to a tetragonal pyramid.

  • 4.
    Ivanov, Alexander
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Rodina, T.A.
    Amur State University, Blagoveshchensk, Russian Federation.
    Ivanov, M.A.
    Russian Academy of Sciences, Institute of Geology and Nature Management, Far East Division, Blagoveshchensk.
    Gerasimenko, A.V.
    Russian Academy of Sciences, Institute of Geology and Nature Management, Far East Division, Vladivostok.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Crystalline platinum(II) O,O'-di-iso-butyldithiophosphate as a model of the structural state of platinum in cooperite: synthesis, structure, and multinuclear 13C, p31P, and 195Pt MAS NMR2008In: Doklady. Physical chemistry, ISSN 0012-5016, E-ISSN 1608-3121, Vol. 423, no 1, p. 311-316Article in journal (Refereed)
  • 5.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Isomorphism of bis(diethyldithiocarbamato)zinc(II) adduct with pyridine, [Zn(Py)(EDtc)2]: hysteresis in the reaction of the adduct formation2002In: Polyhedron, ISSN 0277-5387, E-ISSN 1873-3719, Vol. 21, no 27-28, p. 2727-3731Article in journal (Refereed)
    Abstract [en]

    The structure of the polycrystalline adduct bis(diethyldithiocarbamato)-pyridine zinc(II) depends on the pathway of physico-chemical conditions during the preparation procedure, as was revealed by solid state 15N CP/MAS spectroscopy in good correlation with known single crystal X-ray diffraction structures of this adduct. Two isomorphs of the adduct, namely α-[Zn(Py)(S2CNEt2)2] and β-[Zn(Py)(S2CNEt2)2], are the two molecules in the asymmetric unit of a single crystal (or polycrystalline) sample that can be obtained by recrystallization from toluene of the equimolar solution of the initial diethyldithiocarbamate zinc(II) complex and pyridine. The third isomorph, γ-[Zn(Py)(S2CNEt2)2], can be obtained by recrystallization from pure pyridine of the diethyldithiocarbamate zinc(II) complex, or by its equimolar absorption of pyridine, or by desorption of pyridine from the clathrated adduct, [Zn(Py)(S2CNEt2)2]·Py. Finally, the γ-[Zn(Py)(S2CNEt2)2] isomorph recrystallizes from the melt into α/β-isomorphs of the adduct.

  • 6.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Natural abundance 15N and 13C CP/MAS NMR of dialkyldithiocarbamate compounds with Ni(II) and Zn(II)2005In: New techniques in solid-state NMR, Berlin: Encyclopedia of Global Archaeology/Springer Verlag, 2005, p. 271-337Chapter in book (Other academic)
    Abstract [en]

    Different symmetrically substituted and cyclic dialkydithiocarbamate (R=CH3, C2H5, C3H7, i-C3H7, C4H9, i-C4H9 and R2=(CH2)5, (CH2)6, (CH2)4O) compounds, such as tetraalkylthiuram disulfides, mononuclear nickel(II), binuclear zinc(II) and heteropolynuclear complexes and their adducts (both non-solvated and solvated forms) with planar and non-planar N-donor organic bases, have been prepared and studied by means of natural abundance 13C and 15N CP/MAS NMR spectroscopy. Useful correlations between molecular structures and 13C and 15N chemical shifts in these compounds have been established and assignments to carbon and nitrogen sites in resolved molecular structures have been suggested. A combination of the mesomeric effect of dithiocarbamate groups and the (+)inductive effect of alkyl substituents at the nitrogen atoms has been discussed in interpretations of 13C and 15N chemical shifts of the studied compounds. A high sensitivity of 15N chemical shift to the subtle structural differences of both dithiocarbamate groups and N-donor molecules has been revealed. Several remarkable cases of conformational isomerism have been recognized for both dithiocarbamate complexes and their adducts.

  • 7.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Boström, Dan
    Umeå university.
    Yegao, Y.
    Jingzhou Normal University.
    Rodionova, N. A.
    Blagoveshchensk State Pedagogical University.
    Structural organization and spectral properties of cadmium and nickel(II) O,O"-Di-iso-butyl phosphorodithioate complexes as probed by single-crystal x-ray diffraction and CP/MAS NMR (13C, 31P, 113Cd)2002In: Doklady. Physical chemistry, ISSN 0012-5016, E-ISSN 1608-3121, Vol. 387, no 4-6, p. 299-303Article in journal (Refereed)
  • 8.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Rodionova, N. A.
    Blagoveshchensk State Pedagogical University.
    Binuclear cadmium dithiophosphate crystals: 13C, 31P, and 113Cd CP/MAS NMR studies2003In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 29, no 5, p. 301-306Article in journal (Refereed)
    Abstract [en]

    31P NMR signals for the terminal and bridging ligands of the complexes were differentiated. The experimental NMR spectra show 31P-111,113Cd and 113Cd-31 P spin-spin couplings only for the terminal ligands. The chemical shift anisotropy δ and the asymmetry parameter η were calculated for 31P and 113Cd NMR signals. It was found that the 31P chemical shifts for the terminal and bridging dithiophosphato groups differ in anisotropy character.

  • 9.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Larsson, Anna-Carin
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Kritikos, Mikael
    Stockholm University.
    Forsling, Willis
    Polycrystalline and surface O,O′-dialkyldithiophosphate zinc(II) complexes: preparation, 31P CP/MAS NMR and single-crystal X-ray diffraction studies2001In: Inorganica Chimica Acta, ISSN 0020-1693, E-ISSN 1873-3255, Vol. 315, no 1, p. 26-35Article in journal (Refereed)
    Abstract [en]

    Dithiophosphate zinc(II) complexes with eight different O,O′-dialkyldithiophosphate ligands have been prepared in solid/liquid states and as surface complexes on a synthetic sphalerite, and studied by means of 31P NMR spectroscopy. All 31P resonances, corresponding to dithiophosphate ligands with different structural functions (i.e. terminal chelating or bridging between two metal atoms in bi- and tetranuclear complexes), have been assigned on the basis of comparative analyses of chemical shift data for solid complexes, their melts and chloroform solutions at various concentrations. The bridging coordination of O,O′-dialkyldithiophosphate ligands by the two neighbouring zinc(II) atoms was established in the case of zinc(II) complexes formed at the surface of the synthetic sphalerite. In addition, novel molecular and crystal structures of the binuclear O,O′-di-cyclo-hexyldithiophosphate zinc(II) complex have been resolved by single-crystal X-ray diffraction data analysis, and useful correlations with 31P NMR data for this complex were obtained.

  • 10.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Bredjuk, O.A.
    Blagoveshchensk State Pedagogical University.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    ESR and Solid-State Natural Abundance 13 C CP/MAS NMR Study of Crystalline Alkyl (R=C 2 H 5 , i- C 3 H 7 , i- C 4 H 9 , s- C 4 H 9 , C 5 H 11 ) Xanthate Copper(II) and Thallium(I) Complexes.2005In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 31, no 1, p. 45-50Article in journal (Refereed)
    Abstract [en]

    Crystalline thallium(I) alkylxanthate complexes [Tl{S(S)COR}]n (R = C2H5, i-C3H7, i-C 4H9, s-C4H9, and C5H 11) and isotope-substituted heteropolynuclear Cu(II)Tl(I) complexes [63(65)CuTl6(S2COR)8] (R= i-C 4H9 and C5H11) were obtained and studied by ESR and high-resolution solid-state 13C CP/MAS NMR spectroscopy. According to the 13C NMR data, polynuclear thallium(I) complexes contain structurally equivalent alkylxanthate ligands. The ESR study revealed the Jahn-Teller dynamic effect in Cu(II)Tl(I) complexes; the nuclei of six Tl atoms are involved in the hyperfine interaction

  • 11.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Bredyuk, O. A.
    Blagoveshchensk State Pedagogical University.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Copper(II) and Nickel(II) Alkylxanthate complexes (R = C2H5, i-C3H7, i-C4H9, s-C4H9, and C5H11): EPR and solid-state 13C CP/MAS NMR Studies2004In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 30, no 7, p. 480-485Article in journal (Refereed)
    Abstract [en]

    Alkylxanthate complexes of the general formula [M{S(S)COR}2] (M = Ni, 63Cu, and 65Cu; R = C2H5, i-C3H7, i-C4H9, s-C4H9, and C5H11) were synthesized and studied by EPR and high-resolution solid-state 13C CP/MAS NMR. In the copper(II) complexes stabilized in the matrix of nickel(II) compounds, square planar chromophores [CuS4] are characterized by rhombic distortion (EPR data). Experimental EPR spectra were simulated at the second order of perturbation theory. Nickel(II) complexes were characterized by 13C NMR spectra. In all cases, the -OC(S)S- groups were found to exhibit intramolecular structural equivalence.

  • 12.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Bredyuk, O. A.
    Russian Adademy of Sciences.
    Gerasimenko, A. V.
    Russian Adademy of Sciences.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Synthesis and structure of the polynuclear thallium(I) N,N-cyclo-pentamethylenedithiocarbamate complex [Tl-2{S2CN(CH2)(5)}(2)](n) as probed by single-crystal X-ray diffraction and C-13 and N-15 CP/MAS NMR: an example of complicated structural organization2008In: Doklady. Physical chemistry, ISSN 0012-5016, E-ISSN 1608-3121, Vol. 420, no 2, p. 130-135Article in journal (Refereed)
  • 13.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Bredyuk, O. A.
    Russian Adademy of Sciences.
    Gerasimenko, A. V.
    Russian Adademy of Sciences.
    Lutsenko, I. A.
    Russian Adademy of Sciences.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Structures of polynuclear thallium(I) and copper(II)-thallium(I) complexes with dialkyldithiocarbamates: 13C and 15N CP/MAS NMR, EPR, and X-ray diffraction studies2006In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 32, no 5, p. 339-349Article in journal (Refereed)
    Abstract [en]

    A comparative study of polynuclear thallium complexes with dialkyldithiocarbamates [Tl2{S2CNR2}2]n (R = CH3, i-C3H7, C4H9, and i-C4H9; R2 = (CH2)6) was performed by solid-state 13C and 15N CP/MAS NMR spectroscopy. The dithiocarbamate groups were found to be structurally equivalent in the complexes studied. An increase in the positive inductive effect of alkyl substituents at the N atom increased 15N chemical shifts as a result of a combination of positive inductive effect of the alkyl substituents and the mesomeric effect of=NC(S)S-groups. The first representative of thallium(I) complexes with a cyclic dithiocarbamate ligand [Tl2{S2CN(CH2)6}2]n was obtained. Its molecular structure was determined from X-ray diffraction data. The β-form of the isotope-substituted complex [63/65CuTl2{S2CN(CH2)6}4] was obtained and examined by EPR spectroscopy. The EPR spectra were modeled at the second order of the perturbation theory. The spin density at the thallium atoms was calculated and its distribution over the AOs of thallium was determined.

  • 14.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Kritikos, M.
    Rodina, T. A.
    Lutsenko, I. A.
    The structural reorganization of bis-(diethyldithiocarbamato)-pyridine-zinc(II) and -copper(II) in the process of clathration with CCl4 molecules on ESR, solid state natural abundance C-13 and N-15CP/MAS NMR spectroscopy and single crystal X-ray diffraction data1999In: Doklady Akademii Nauk, ISSN 0869-5652, Vol. 366, no 5, p. 643-648Article in journal (Refereed)
  • 15.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Kritikos, M.
    Arrhenius Laboratory, University of Stockholm.
    Rodina, T.A.
    Amur State University, Blagoveshchensk, Russian Federation.
    Lutsenko, I.A.
    Amur Institute of Integrated Research, Far East Division, Russian Academy of Sciences.
    Structural reorganization of bis(diethyldithiocarbamato)pyridinezinc(II) and bis(diethyldithiocarbamato)pyridinecopper(II) upon clathrate formation with CCl4 by EPR, high-resolution solid-state 13C and 15N NMR, and X-ray crystallography1999In: Doklady. Chemistry, ISSN 0012-5008, E-ISSN 1608-3113, Vol. 366, no 4-6, p. 142-147Article in journal (Refereed)
  • 16.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Novikova, E. V.
    Blagoveshchensk State Pedagogical University.
    Adducts of diethyldithiocarbamate complexes of zinc(II) and copper(II) with piperidine [M(Pip)(Edtc)2] and their solvated forms [M(Pip)(Edtc)2] · L (L = C6H6, C5H5N, C4H9NO): synthesis, EPR and solid-state (13C, 15N) CP/MAS NMR studies2001In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 27, no 3, p. 158-166Article in journal (Refereed)
    Abstract [en]

    Crystal adducts of diethyldithiocarbamate complexes of zinc(II) and copper(II) with piperidine (Pip) were synthesized, and their solvated forms with the outer-sphere molecules of benzene, pyridine (Py), and morpholine (Mf) were obtained. Adducts with composition [M(Pip)(Edtc)2] · L (L = Py, Mf) were shown to be able, in principle, to give solvated isomers [M(L)(Edtc)2] · Pip with the Pip molecule arranged in the outer sphere. The composition, structure, and properties of the obtained adducts were studied by EPR, high-resolution solid-state 13C, 15N NMR spectroscopy. Solvation of all three adducts with Pip, Mf, and Py was found to result in a substantial increase in the contribution of the trigonal-bipyramidal component to the geometry of a copper coordination pentahedron. In addition, for adducts with Mf and Py, a structural unification of two isomeric forms was observed at the molecular level to yield a qualitatively new (rather than intermediate) state. It was shown that in all solvated forms of the copper(II) adducts, the metal polyhedron is mainly a trigonal bipyramid, while the square-pyramidal contribution is insignificant. Results of (13C, 15N) NMR studies revealed a structural inequivalence of the Edtc-ligands in the zinc adducts under investigation.

  • 17.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Kritikos, M.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Larsson, Anna-Carin
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Zhukov, F. A.
    Yusupov, Z. F.
    Structural organization of zinc, nickel(II), and copper(II) O,O '-dicyclohexyl phosphorodithioate complexes as probed by X-ray diffraction, EPR, and solid-state high-resolution C-13 and P-31 NMR2000In: Doklady. Chemistry, ISSN 0012-5008, E-ISSN 1608-3113, Vol. 375, no 1-3, p. 236-241Article in journal (Refereed)
  • 18.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Kritikos, M.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Novikova, E. V
    Adduct-formation of diethyldithiocarbamate zinc and copper(II) complexes with morpholine: Crystal and molecular structures, ESR and solid state natural abundance C-13 and N-15CP/MAS NMR spectroscopy1999In: Doklady Akademii Nauk, ISSN 0869-5652, Vol. 369, no 1, p. 64-69Article in journal (Refereed)
  • 19.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Kritikos, M.
    Arrhenius Laboratory, University of Stockholm.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Novikova, E.V.
    Blagoveshchensk State Pedagogical University.
    Adducts of zinc and copper(II) diethyldithiocarbamate complexes with morpholine: crystal and molecular structure, EPR, and high-resolution solid-state 13C and 15N NMR1999In: Doklady. Chemistry, ISSN 0012-5008, E-ISSN 1608-3113, Vol. 369, no 1-3, p. 268-273Article in journal (Refereed)
  • 20.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Gerasimenko, Andrey V.
    Konzelko, Alexey A.
    Ivanov, Maxim A.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Conformational isomerism of the binuclear N,N-pentamethylenedithiocarbamate cadmium(II) complex, [Cd2{S2CN(CH2)5}4] on multinuclear (15N, 113Cd) CP/MAS NMR and single-crystal X-ray diffraction data2006In: Inorganica Chimica Acta, ISSN 0020-1693, E-ISSN 1873-3255, Vol. 359, no 12, p. 3855-3864Article in journal (Refereed)
    Abstract [en]

    Crystalline N,N-cyclo-pentamethylenedithiocarbamate (PmDtc) cadmium(II) complex was prepared and studied by means of 15N, 113Cd CP/MAS NMR spectroscopy and single-crystal X-ray diffraction. The unit cell of the cadmium(II) compound comprises two centrosymmetric isomeric binuclear molecules [Cd2{S2CN(CH2)5}4], which display structural inequivalence in both 15N and 113Cd NMR and XRD data. There are pairs of the dithiocarbamate ligands exhibiting different structural functions in both isomeric molecules. Each of the terminal ligands is bidentately coordinated to the cadmium atom and forms a planar four-membered chelate ring [CdS2C]; whereas pairs of the tridentate bridging ligands combine two neighbouring cadmium atoms forming an extended eight-membered tricyclic moieties [Cd2S4C2], whose geometry can be approximated by a ‘chair' conformation. The structural states of cadmium atoms were characterised by almost axially symmetric 113Cd chemical shift tensors. All experimental 15N resonance lines were assigned to the nitrogen structural sites in both isomeric binuclear molecules.

  • 21.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Ivakhnenko, E. V.
    Russian Adademy of Sciences.
    Forsling, Willis
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Gerasimenko, A. V.
    Russian Adademy of Sciences.
    Single-Crystal X-ray diffraction and CP/MAS 13C and 15N NMR Study of Zinc N,N-di-iso-butyldithiocarbamate complex: a unique structural organization2003In: Doklady. Chemistry, ISSN 0012-5008, E-ISSN 1608-3113, Vol. 390, no 4-6, p. 162-167Article in journal (Refereed)
  • 22.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Ivakhnenko, E. V.
    Russian Adademy of Sciences.
    Forsling, Willis
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Gerasimenko, A. V.
    Russian Adademy of Sciences.
    Bukvetskii, B. V.
    Russian Adademy of Sciences.
    A comparative study of the structural organization of nickel(II) and copper(II) complexes with dialkyl-substituted and cyclic dithiocarbamate ligands by X-ray single-crystal diffraction, EPR, and CP/MAS C-13 and N-15 NMR2002In: Russian Journal of Inorganic Chemistry, ISSN 0036-0236, E-ISSN 1531-8613, Vol. 47, no 3, p. 410-422Article in journal (Refereed)
    Abstract [en]

    X-ray single-crystal diffraction, EPR, and CP/MAS C-13 and N-15 NMR were used for studying the structures and spectral properties of nickel(II) and copper(II) dithiocarbamate complexes [M(S2CNR2)(2)] (R = CH3, C2H5, C3H7, i-C3H7 or R-2 = (CH2)(5), (CH2)(6), (CH2)(4)O). The [CUS4] chromophores in the lattice of nickel(II) complexes have, predominantly, a square-planar structure. The chromophore geometry is somewhat distorted only in bis(morpholinedithiocarbamato)copper(II). Differences in the N-15 NMR isotropic chemical shifts of dialkyldithiocarbamate ligands were interpreted in terms of a unified conceptual approach based on the concept of joint manifestation of the mesomeric effect of dithiocarbamate groups and the inductive effect of alkyl substituents. Experimental NMR (C-13, N-15) signals were assigned to the structural positions of atoms in allowed molecular structures. Refined structural data on [Ni{S2CN(C3H7)(2)}(2)] point to the occurrence of two types of structurally nonequivalent complex molecules; the [Ni(S2CN(CH2)6)2] complex is characterized by the intramolecular nonequivalence of dithiocarbamate ligands.

  • 23.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Ivakhnenko, E. V.
    Russian Adademy of Sciences.
    Gerasimenko, A. V.
    Russian Adademy of Sciences.
    Forsling, Willis
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    A comparative study of the structural organization of zinc complexes with dialkyl-substituted and cyclic dithiocarbamate ligands: synthesis, single-crystal X-ray diffraction, and CP/MAS C-13 and N-15 NMR2003In: Russian Journal of Inorganic Chemistry, ISSN 0036-0236, E-ISSN 1531-8613, Vol. 48, no 1, p. 45-54Article in journal (Refereed)
    Abstract [en]

    The structures and spectral properties of eight zinc(II) dithiocarbamate complexes [Zn-2(S2CNR2)(4)] (R = CH3, C2H5, C3H7, C3H7, C4H9; or R-2 = (CH2)(5), (CH2)(6), (CH2)(4)O) have been studied by single-crystal X-ray diffraction and CP/MAS C-13 and N-15 NMR. The experimental C-13 and N-15 NMR signals have been assigned to the positions of the corresponding atoms in the ligands with different structural functions (terminal or bridging). Differences in the N-15 NMR isotropic chemical shifts of dialkyldithiocarbamate ligands have been interpreted based on the concept of joint manifestation of the mesometic effect of dithiocarbamate groups and the inductive effect of alkyl substituents. The zinc dibutyl-, pentamethylene-, and morpholinedithiocarbamate complexes have been prepared and comprehensively characterized. The binuclear complex [Zn-2{S2CN(C4H9)(2)}(4)] appears to be the second example of a noncentrosymmetiic molecule of zinc dithiocarbamate. Another structural feature of the dimer is the fact that the eight-membered [Zn2S4C2] metallacycle is stabilized in the boat rather than in the chair conformation.

  • 24.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Konfederatov, V.A.
    Institute of Geology and Nature Management, Far East Branch, Russian Academy of Sciences, Blagoveshchensk.
    Gerasimenko, A.V.
    Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences, 690022, Vladivostok.
    Larsson, Anna-Carin
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Polymeric thallium(I) O,O′-diisopropyl dithiophosphate [Tl{S2P(O-iso-C3H7)2}]n: synthesis, structure, and 13C and 31P CP/MAS2009In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 35, no 11, p. 857-863Article in journal (Refereed)
    Abstract [en]

    The crystalline polymeric thallium(I) O,O′-diisopropyl dithiophosphate [Tl{S2P(O-iso-C3H7)2}] n (I) was obtained and examined by solid-state 13C and 31P CP/MAS NMR spectroscopy. Diagrams of the χ2 statistic were constructed from the complete 31P MAS NMR spectra and used to calculate the 31P chemical shift anisotropy (δaniso = (δ zz - δiso)) and the asymmetry parameter (η = (δ yy - δ xx )/(δ zz - δiso)). The 31P chemical shift tensor has a nearly axial symmetry (η = 0.22, δ zz < δ yy ≈ δ xx ). The MAS NMR spectral patterns correspond to the negative sign of δaniso (δ zz < δ yy < δ xx ), which indicates bridging or chelating-bridging coordination of the dithiophosphate ligands (Dtph). X-ray diffraction analysis revealed a polymeric structure of compound I. The polymer chain consists of alternating mononuclear [Tl{S2P(O-iso-C3H7)2}] molecules with opposite spatial orientations. The Dtph ligands are coordinated in a mixed, chelating-μ3-bridging fashion. The shape of the 31P NMR signal was interpreted in terms of the 31P-203,205Tl coupling pattern proposed from crystallographic data.

  • 25.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Korneeva, E. V.
    Amur Institute of Integrated Research, Far East Division, Russian Academy of Sciences.
    Gerasimenko, A. V.
    Institute of Chemistry, Far East Division, Russian Academy of Sciences.
    Forsling, Willis
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Structural organization of nickel(II), zinc(II), and copper(II) complexes with diisobutyldithiocarbamate: EPR, 13C and 15N CP/MAS NMR, and X-ray diffraction studies2005In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 31, no 10, p. 695-707Article in journal (Refereed)
    Abstract [en]

    The structures and spectroscopic properties of nickel(II), zinc(II), and copper(II) complexes with dibutyl- and diisobutyldithiocarbamate were studied by EPR and 13C and 15N CP/MAS NMR spectroscopy and X-ray diffraction analysis. According to the EPR data, copper(II) forms mononuclear [63/65Cu{S2CNR2}2] and heterobinuclear complexes [63/65CuZn{S2CNR2}4] under magnetic dilution conditions. The isomeric forms of nickel(II) and zinc(II) diisobutyldithiocarbamates were detected by 13C and 15N NMR spectroscopy. The crystalline zinc(II) diisobutyldithiocarbamate was found to have a unique structural organization with alternating mononuclear [Zn{S2CN(i-C4H9)2}2] and binuclear molecular forms [Zn2{ S2CN(i-C4H9)2}4] in the 1 : 1 ratio.

  • 26.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Kritikos, M.
    Arrhenius Laboratory, University of Stockholm.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Lund, A.
    University of Linköping.
    Lutsenko, A.I.
    Amur Institute of Integrated Research, Far East Division, Russian Academy of Sciences.
    Bis(diethyldithiocarbamato)pyridinezinc(II) and -copper(II) clathrates M(Edtc)2Py·nL (L = CH2Cl2 and CHCl3; n = 1 and 0.5): Molecular and crystal structures and EPR and high-resolution solid-state (13C, 15N) NMR spectra1999In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 25, no 8, p. 543-555Article in journal (Refereed)
    Abstract [en]

    X-ray diffraction analysis, EPR, and high-resolution solid-state (13C, 15N) NMR spectroscopy were used to examine structural organization and spectral properties of six bis(diethyldithiocarbamato)pyridine-zinc(II) and copper(II) solvates with dichloromethane and chloroform, M(Edtc)2Py·nL (n = 1 and 0.5). Typical of the clathrate-type structures, the compounds are penetrated by the ordered molecular channels filled with chemically nonbonded chlorohydrocarbon molecules. At the molecular level, the geometry of coordination polyhedra of complexing atoms is intermediate between trigonal bipyramidal and square pyramidal (the contribution of the square-pyramidal component is quantitatively estimated for the zinc clathrate). Accordingly, the ground state of the unpaired electron in the copper(II) compounds is a combination of the dx2-y2 and dz2 orbitals. It is shown that the nonequivalence of the Edtc- ligands in zinc(II) clathrates manifests itself both magnetically and structurally. The chlorine atoms of the solvate dichloromethane molecules, unlike chloroform molecules, are disordered over the two structural positions with different multiplicities. The 13C and 15N NMR signals are assigned to the atomic positions in the resolved molecular structures

  • 27.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Kritikos, M.
    Arrhenius Laboratory, University of Stockholm.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Lund, A.
    University of Linköping.
    Structure, EPR, and 13C and 15N NMR of Clathrates of Bis(diethyldithiocarbamato)pyridinezinc(II) and Bis(diethyldithiocarbamato)pyridinecopper(II) with 1,2-Dichloroethane1999In: Russian Journal of Inorganic Chemistry, ISSN 0036-0236, E-ISSN 1531-8613, Vol. 44, no 10, p. 1605-1614Article in journal (Refereed)
    Abstract [en]

    The structural organization of the clathrates of bis(diethyldithiocarbamato)pyridinezinc(II) and -copper(II) with 1,2-dichloroethane, M(Edtc)2Py · L, was studied by EPR, high-resolution solid-state 13C and 15N NMR, and X-ray crystallography. The clathrates contain typical molecular channels and cavities, which accommodate chemically unbound dichloroethane molecules. At the molecular level, the geometry of the zinc and copper coordination polyhedra is intermediate between a trigonal bipyramid and a square pyramid. The ground state of the unpaired electron of copper(II) is a result of mixing the dx2-y2 and dz2 orbitals. The Edtc ligands incorporated in the zinc(II) clathrate are somewhat nonequivalent, both magnetically and structurally. The chlorine atoms of the 1,2-dichloroethane molecule are disordered over two structural positions with different occupancies, which may point to the occurrence of several conformations. The 13C and 15N NMR signals were assigned based on combined analysis of available structural and NMR data

  • 28.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Kritikos, M.
    Stockholm University.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Lund, A.
    University of Linköping.
    Mitrofanova, V.I.
    Amur Institute of Integrated Research, Far East Division, Russian Academy of Sciences.
    Bis(diethyldithiocarbamato)pyridinezinc(II) and copper(II) clathrates with pyridine: Molecular structure and EPR and high-resolution solid-state (13C, 15N) NMR spectra1998In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 24, no 9, p. 645-654Article in journal (Refereed)
    Abstract [en]

    EPR, high-resolution solid-state (13C, 15N) NMR, and X-ray diffraction methods were used to study bis(diethyldithiocarbamato)pyridinezinc(II) and copper(II) clathrates with pyridine, M(EdIc)2Py · Py. The structural functionalities of the Py molecules in these clathrates were found to be different: one of them is coordinated to the complexing atom, while the other (solvate) is hydrogen-bonded to the sulfur atom of one of the ligands. The heterocycle of the uncoordinated Py molecule was found to be geometrically distorted. The structures of the copper and zinc coordination polyhedra are close to trigonal-bipyramidal: two sulfur atoms and the nitrogen atom of pyridine form the equatorial plane; another two sulfur atoms occupy axial positions at larger distances. EPR spectra of the magnetically diluted copper(II) clathrate exhibit well-resolved SHFS from the nitrogen atom of Py, owing to the contribution of the dz2 orbital to the ground-state wave function of the unpaired electron. The NMR data suggest that the nitrogen atoms of the Edtc- ligands are magnetically inequivalent and that the 15N chemical shift of the uncoordinated Py molecule changes in an unusual fashion. Signal assignment was carried out for the experimental 13C and 15N NMR spectra

  • 29.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Kritikos, M.
    Arrhenius Laboratory, University of Stockholm.
    Lund, A.
    University of Linköping.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Rodina, T.A.
    Amur Institute of Integrated Research, Far East Division, Russian Academy of Sciences.
    Clathrate Formation of Bis(diethyldithiocarbamato)pyridinezinc(II) and Bis(diethyldithiocarbamato)pyridinecopper(II) with Benzene by EPR, High-Resolution Solid-State 13C and 15N NMR, and X-ray Crystallography1998In: Russian Journal of Inorganic Chemistry, ISSN 0036-0236, E-ISSN 1531-8613, Vol. 43, no 9, p. 1368-1376Article in journal (Refereed)
    Abstract [en]

    The structures of the clathrates of bis(diethyldithiocarbamato)pyridinezinc(H) and-copper(II) with benzene were studied by EPR, high-resolution solid-state 13C and 15N NMR, and X-ray crystallography. The geometry of the coordination polyhedra in the clathrates M(EDtc)2· Py · C6H6is close to trigonal-bipyramidal. Two short M-S bonds and the M-N bond form the equatorial plane, and two long M-S bonds point toward the axial positions. For the magnetically diluted copper(II) clathrate, the hyperfine structure can be observed at low temperatures due to the nitrogen atom of pyridine, which is associated with the contribution of the dz2orbital to the ground-state wave function of the unpaired electron. The 13C and 15N NMR signals were assigned.

  • 30.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Kritikos, Mikael
    Stockholm University.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    The structural reorganisation of bis(diethyldithiocarbamato)morpholine-zinc(II) and -copper(II) in the course of solid-state solvation with morpholine and benzene molecules studied by ESR, solid-state 13C and 15N CP/MAS NMR spectroscopy and single-crystal X-ray diffraction2001In: Inorganica Chimica Acta, ISSN 0020-1693, E-ISSN 1873-3255, Vol. 321, no 1-2, p. 63-64Article in journal (Refereed)
    Abstract [en]

    Six forms of both non-solvated and solvated adducts of bis(diethyldithiocarbamato)–zinc(II) and –copper(II) with morpholine, of general formulas [M{O(CH2)4NH}{S2CN(C2H5)2}2] and [M{O(CH2)4NH}{S2CN(C2H5)2}2]·L (M=Zn(II) (1): L=O(CH2)4NH (2), C6H6 (3); M=Cu(II) (4): L=O(CH2)4NH (5), C6H6 (6)), have been prepared and studied by means of ESR, solid-state natural abundance 13C and 15N CP/MAS NMR spectroscopy and single crystal X-ray diffraction data. The existence of two conformers, which are correlated as rotation isomers, was unambiguously established for both zinc(II) and copper(II) non-solvated adducts 1 and 4. These two isomeric forms are characterised by different modes of spatial orientation of the non-planar morpholine ring relative to the two four-membered metallochelate rings. The geometry of the adduct molecules is close to square pyramidal, C4v, and therefore the ground state of the unpaired copper(II) electron corresponds to the 3dx2−y2 atomic orbital (AO). Solvation of the studied adducts in the solid state leads to their significant structural reorganisation at the molecular level, i.e. their structural unification yielding qualitatively new structural states with: (i) different lengths of the Zn---N bond; (ii) reoriented heterocyclic ring of the coordinated morpholine molecule; and (iii) an enhanced contribution of trigonal-bipyramidal character to the geometry of the coordination polyhedra of the central atom (from 7.5 and 22.7% in original adducts to 75% in solvated forms). The type of geometry of the coordination polyhedrons in the solvated forms of the adducts (intermediate between trigonal bipyramid D3h and square pyramid C4v) correlates with the fact that the ground state of the unpaired copper(II) electron is a mixture of 3dz2 and 3dx2−y2 AOs. All observed ESR and NMR resonances have been assigned and are in agreement with the structures obtained from X-ray diffraction data.

  • 31.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Larsson, Anna-Carin
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Rodionova, N. A.
    Blagoveshchensk State Pedagogical University.
    Gerasimenko, A. V.
    Institute of Chemistry, Far East Division, Russian Academy of Sciences.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Structural organization of nickel(II) and copper(II) O,O'-dialkyl phosphorodithioate complexes as probed by X-ray diffraction, EPR, and CP/MAS 13C and 31P NMR2004In: Russian Journal of Inorganic Chemistry, ISSN 0036-0236, E-ISSN 1531-8613, Vol. 49, no 3, p. 373-385Article in journal (Refereed)
    Abstract [en]

    The nickel(II) and copper(II) complexes [M{S2P(OR)(2)}(2)] (M = Ni, Cu-63, Cu-65; R = C2H5, C3H7, i-C3H7, C4H9, i-C4H9, s-C4H9, i-C5H11, c-C6H11) with eight symmetric O,O'-dialkyl phosphorodithioates were synthesized, and their structures and spectral properties were studied by EPR and CP/MAS C-13 and P-31 NMR. As determined by EPR, the [CuS4] chromophores in the lattice of nickel(II) complexes have predominantly a square-planar structure. The chromophores in complexes with phosphorodithioate ligands incorporating bulky alkyl substituents have somewhat distorted geometries. NMR shows that the Dtph groups in most nickel(II) complexes are structurally equivalent. An exception is [Ni{S2P(OC3H7)(2)}(2)], which gives rise to two (1 : 1) P-31 NMR signals. For [Ni(S2P(O-i-C4H9)(2))(2)], the alpha and beta modifications were obtained. In the alpha modification, the phosphorodithioate groups are nonequivalent, whereas the P modification has structurally equivalent ligands. The broadening of the P-31 NMR signal of the [Ni{S2P(O-s-C4H9)(2)}(2)] complex is rationalized by the existence of six optical isomers (due to two chiral centers in each of the ligands). For the Dtph groups acting as bidentate terminal ligands in the nickel(II) complexes, the P-31 chemical shift anisotropy delta(aniso) and asymmetry parameter eta were calculated from experimental NMR spectra. Single-crystal X-ray diffraction shows that bis(O,O'-dipropyl phosphorodithioato)nickel(II) exists in the form of two centrosymmetric molecules. In the structure of alpha-bis(O,O'-dipropyl phosphorodithioato)nickel(II), the Dtph ligands in the molecule are nonequivalent. The experimental P-31 NMR signals in the spectra of [Ni{S2P(OC3H7)(2)}(2)] and alpha-[Ni{S2P(O-i-C4H9)(2)}(2)] are assigned to the structural positions of phosphorus atoms in the corresponding molecular structures determined by X-ray diffraction.

  • 32.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Leskova, S. A.
    Russian Adademy of Sciences.
    Mel'nikova, M. A.
    Rodina, T. A.
    Russian Adademy of Sciences.
    Lund, A.
    Linköping University.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Adducts of zinc and copper(II) morpholinedithiocarbamate complexes with morpholine of the composition [M(Mf)(MfDtC)(2)] and [M(Mf)(MfDtC)(2)]center dot Mf: Synthesis, thermal analysis, EPR, and CP/MAS C-13 NMR2003In: Russian Journal of Inorganic Chemistry, ISSN 0036-0236, E-ISSN 1531-8613, Vol. 48, no 3, p. 415-421Article in journal (Refereed)
    Abstract [en]

    The zinc and copper(II) morpholineditiohcarbamate complexes [M-2(MfDtc)(4)] and their adducts with morpholine [M(Mf)(MfDtc)(2)], including the solvated forms [M(Mf)(MfDtc)(2)] . Mf (M = Zn, Cu-63, Cu-65), have been synthesized and characterized by thermal analysis, EPR, and CP/MAS C-13 NMR data. Upon thermal destruction, the initial complexes, their adducts, and solvated forms lose weight in one, two, and three steps, respectively. The ultimate products of the thermal destruction of these complexes are zinc and copper sulfides. The range of the thermal destruction of the "dithiocarbamate part" is progressively shifted to lower temperatures in going from the initial binuclear complexes to their adducts and solvated forms. EPR shows that the geometry of the [CuS4N] chromophore in the [Cu(Mf)(MfDtc)(2)] adduct is close to square-pyramidal, the unpaired electron being predominantly localized in the metal 3d(x2-y2) AO. The outer-sphere solvation of the adduct is accompanied by structural reorganization at the molecular level. This reorganization involves a distortion of the [CuS4] base of the square-pyramidal polyhedron [CuS4N] toward a trigonal bipyramid. C-13 NMR shows that all of the zinc complexes under consideration are characterized by intramolecular nonequivalence of dithiocarbamate ligands. The N-15 NMR spectra adequately reflect the difference in the structural functions of pairs of dithiocarbamate ligands in [Zn-2(MfDtc)(4)].

  • 33.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Leskova, S.A.
    Amur State University, Blagoveshchensk, Russian Federation.
    Kritikos, M.
    Arrhenius Laboratory, University of Stockholm.
    Forsling, Willis
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Adduct formation of the zinc morpholinedithiocarbamate complex with morpholine as studied by CP/MAS 15N NMR and single-crystal X-ray diffraction2004In: Russian Journal of Inorganic Chemistry, ISSN 0036-0236, E-ISSN 1531-8613, Vol. 49, no 12, p. 1863-1870Article in journal (Refereed)
    Abstract [en]

    The adduct of the zinc morpholineditiohcarbamate complex with morpholine [Zn(Mf)(MfDtc)2] and its solvated form [Zn(Mf)(MfDtc) 2]·Mf were studied by CP/MAS 15N NMR and single-crystal X-ray diffraction. These complexes are molecular, and the dithiocarbamate ligands therein are structurally nonequivalent. Solvation of the adduct aggravates this nonequivalence. The molecular and crystal structure of [Zn(Mf)(MfDtc)2]·Mf was determined by X-ray crystallography. The crystal structure of this compound has a system of ordered channels accommodating the outer-sphere morpholine molecules of solvation, which points to the formation of clathrate structures. The zinc coordination polyhedron [ZnS4N] is a somewhat distorted square pyramid with the four sulfur atoms at the base and the nitrogen atom at the apex. The square-pyramidal (SP) (97%) and trigonal-bipyramidal (TBP) (3%) contributions to the geometry of the zinc polyhedron were calculated. The 15N NMR signals were assigned to the structural positions of the nitrogen atoms in the molecular structure determined

  • 34.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Loseva, O.V.
    Russian Academy of Sciences, Institute of Geology and Nature Management, Far East Division, Vladivostok.
    Ivanov, M.A.
    Russian Academy of Sciences, Institute of Geology and Nature Management, Far East Division, Vladivostok.
    Konfederatov, V.A.
    Russian Academy of Sciences, Institute of Geology and Nature Management, Far East Division, Vladivostok.
    Gerasimenko, A.V.
    Russian Academy of Sciences, Institute of Geology and Nature Management, Far East Division, Vladivostok.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Crystalline cadmium dialkyl phosphorodithioate complexes: synthesis and structural organization as probed by multinuclear C-13, P-31, and Cd-113 CP/MAS NMR and single-crystal X-ray diffraction2007In: Russian Journal of Inorganic Chemistry, ISSN 0036-0236, E-ISSN 1531-8613, Vol. 52, no 10, p. 1595-1602Article in journal (Refereed)
    Abstract [en]

    The cadmium O,O'-dethyl (I) and O,O'-di-sec-butyl phosphorodithioate (II) complexes have been synthesized and characterized in detail by(13)C, P-31, and Cd-113 CP/MAS NMR. X-ray crystallography shows that complex II has a binuclear molecular structure [Cd-2{S2P(O-s-C4H9)(2)}(4)]. For P-31 and Cd-113 NMR signals, the chemical shift anisotropy delta(aniso) and the asymmetry parameter eta have been calculated. The P-31 NMR signals are assigned to the terminal and bridging ligands in the complexes.

  • 35.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Lutsenko, I. A.
    Russian Adademy of Sciences.
    Forsling, Willis
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Bis(dimethyldithiocarbamato)(pyridine)zinc and -copper(II) and Their Benzene Solvates: EPR and Solid-State Natural Abundance (13C, 15N) CP/MAS NMR2002In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 28, no 1, p. 57-63Article in journal (Refereed)
    Abstract [en]

    Adducts of bis(dimethyldithiocarbamato)zinc and -copper(II) complexes with pyridine, [M(Py)(Mdtc)2], and their benzene solvates [M(Py)(Mdtc)2] · 0.5C6H6 were synthesized. The electron paramagnetic resonance method and solid-state 13C and 15N CP/MAS NMR spectroscopy were used to perform a comparative study of the compounds obtained. The EPR data showed that the geometry of Cu(II) coordination polyhedra both in the adduct itself [Cu(Py)(Mdtc)2], and in its solvate, [Cu(Py)(Mdtc)2] · 0.5C6H6 is intermediate between a square pyramid (SP) and a trigonal bipyramid (TBP), the contribution from the latter being dominant (75%) in [Cu(Py)(Mdtc)2]. In the solvated adduct [Cu(Py)(Mdtc)2] · 0.5C6H6, the copper(II) polyhedron is distorted to form an SP-enriched structure (the contribution from TBP is reduced to 55%). It was found NMR data that [Zn(Py)(Mdtc)2] exists in a single high-symmetry molecular form. Coordinated pyridine molecule shows molecular motion about the Zn-N bond. The solvation of the adduct results in structural nonequivalence of the Mdtc-ligands in [Zn(Py)(Mdtc)2] · 0.5C6H6. Signals in the 15N NMR spectra were assigned to the structural positions of the atoms in the previously described molecular structure of a solvated adduct. It was found that the heterogeneous reaction of adduct formation during the absorption of pyridine from the gas phase by polycrystalline [Zn2(Mdtc)4] species is accompanied by the dissociation of binuclear molecules.

  • 36.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Lutsenko, I. A.
    Russian Adademy of Sciences.
    Ivanov, M. A.
    Russian Adademy of Sciences.
    Gerasimenko, A. V.
    Russian Adademy of Sciences.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Synthesis, structural and multinuclear natural abundance (C-13, P-31, Pt-195) CP/MAS NMR studies of crystalline O,O '-dialkyldithiophosphate platinum(II) complexes2008In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 34, no 8, p. 584-593Article in journal (Refereed)
    Abstract [en]

    Platinum(II) O,O'-dicyclohexyl dithiophosphate [Pt{S2P(O-cyclo-C6H11)(2)}(2)] (I) and platinum(II) O,O'-diisopropyl dithiophosphate [Pt{S2P(O-iso-C3H7)(2)}(2)] (II) complexes were obtained and studied by solidstate C-13, P-31, and Pt-195 CP/MAS NMR spectroscopy. The dithiophosphate (Dtph) ligands in molecular structure I were found to be coordinated by platinum in S,S'-bidentate fashion to form the planar chromophore [PtS4] (single-crystal X-ray diffraction data). For complex II, a new alpha-form (alpha-II) was obtained and identified by P-31 MAS NMR spectroscopy. The P-31 chemical shift anisotropy delta(aniso) and the asymmetry parameter eta of the P-31 chemical shift tensor were calculated from the whole MAS spectra.

  • 37.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Lutsenko, I.A.
    Institute of Geology and Nature Management, Far East Branch, Russian Academy of Sciences, Blagoveshchensk.
    Komeeva, E.V.
    Institute of Geology and Nature Management, Far East Branch, Russian Academy of Sciences, Blagoveshchensk.
    Gerasimenko, A.V.
    Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences, 690022, Vladivostok.
    Ogil'ko, G.V.
    Blagoveshchensk State Pedagogical University.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Larsson, Anna-Carin
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Binding of Au3+ from solutions by nickel(II) and cadmium diisopropyl dithiophosphates: MAS P-31 NMR, structure and thermal behavior of the polynuclear complex [Au-2{S2P(O-iso-C3H7)(2)}(2)] (n)2012In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 38, no 6, p. 430-439Article in journal (Refereed)
    Abstract [en]

    The paper deals with reactions of freshly precipitated diisopropyl dithiophosphate (Dtph) complexes of nickel(II), [Ni{S2P(O-iso-C3H7)(2)}(2)] and cadmium, [Cd-2{S2P(O-iso-C3H7)(2)}(4)], with the [AuCl4](-) in 2M HCl, resulting in gold transition from the solution to the precipitate as polymeric gold(I) diisopropyl dithiophosphate. The reduction of gold(III) to gold(I) noted in both cases is due to oxidation of the relevant part of the Dtph group to bis(O,O'-di-(iso)-propoxythiophosphoryl) disulfide, (iso-C3H7O)(2)P(S)S-S(S)P(O-iso-C3H7)(2). The polynuclear gold(I) complex [Au-2{S2P(O-iso-C3H7)(2)}(2)] (n) (I) was isolated on a preparative scale from the chemisorption system and studied by MAS P-31 NMR and X-ray diffraction. The key structural unit of I is the non-centrosymmetric binuclear molecule [Au-2{S2P(O-iso-C3H7)(2)}(2)] in which the gold atoms are connected by two bridging Dtph groups. The structure contains two types of non-equivalent binuclear molecules related as conformational isomers. Owing to the relatively weak Au-Au contacts, the neighboring binuclear [Au-2{S2P(O-iso-C3H7)(2)}(2)] molecules are involved in an infinite polymeric chain with conformer alternation along the chain. To elucidate the conditions for the recovery of bound gold(I), the precipitates formed in the sorption systems were studied by simultaneous thermal analysis under argon. As the final product, thermolysis gives reduced metallic gold. The ability of dithiophosphate complexes to bind gold from a solution is much lower than that of dithiocarbamate complexes, which is due to oxidation of some Dtph groups to disulfide.

  • 38.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Mitrofanova, Valentina I.
    Russian Adademy of Sciences.
    Kritikos, Mikael
    Stockholm University.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Rotation isomers of bis(diethyldithiocarbamato)zinc(II) adduct with pyridine, Zn(EDtc)(2)center dot Py: ESR, C-13 and N-15 CP/MAS NMR and single-crystal X-ray diffraction studies1999In: Polyhedron, ISSN 0277-5387, E-ISSN 1873-3719, Vol. 18, no 15, p. 2069-2078Article in journal (Refereed)
    Abstract [en]

    The adduct of bis(diethyldithiocarbamato)zinc(II) with pyridine, Zn(EDtc)2·Py, was prepared and studied by means of ESR (63Cu2+ and 65Cu2+ were used as spin labels), solid-state natural abundance 13C and 15N CP/MAS NMR spectroscopy and single-crystal X-ray diffraction data analysis. Two rotation isomers of the adduct were unambiguously determined by these three independent methods. It was found that these two isomers have different orientations of the pyridine ring about the N(Py)-Zn axis. The acute angles of the plane of the pyridine molecules relative to the most weak Zn-S bond are equal to 45.6 and 52.7° in the different isomers. Adduct molecules adopt a geometry which is intermediate between the square pyramidal (C4v) and the trigonal bipyramidal (D3h). All ESR and NMR resonances of Zn(EDtc)2·Py were assigned

  • 39.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Novikova, E.V.
    Blagoveshchensk State Pedagogical University.
    Leskova, S.A.
    Amur State University, Blagoveshchensk, Russian Federation.
    Forsling, Willis
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Adducts of zinc and copper(II) dialkyldithiocarbamate complexes with hexamethyleneimine: synthesis, EPR and CP/MAS 13C and 15N NMR2004In: Russian Journal of Inorganic Chemistry, ISSN 0036-0236, E-ISSN 1531-8613, Vol. 49, no 1, p. 95-101Article in journal (Refereed)
    Abstract [en]

    Powders of the zinc and copper(II) dimethyl- (MDtc), diethyl- (EDtc), and morpholinedilhiocarbamate (MfDtc) complexes quantitatively absorb hexamethyleneimine (Hmi) to produce the adducts [M{NH(CH2) 6}(S2CNR2)2] (M = Zn, Cu; R = CH3, C2H5; R2 = (CH 2)4O). The heterogeneous reaction of adduct formation is accompanied by dissociation of the binuclear molecules [M2(DtC) 4] of the initial dithiocarbamate complexes. Computer-aided simulation of EPR spectra for the copper(II) adducts shows that they are individual. The coordination polyhedron of copper in these compounds is intermediate between a trigonal bipyramid (TBP) and a square pyramid (SP). Based on EPR data, the TBP contribution is quantitatively estimated. 13C and 15N NMR shows that the MDtc and EDtc ligands in the adducts are structurally nonequivalent, whereas the MfDtc ligands are structurally equivalent. The 15N isotropic chemical shifts of the dithiocarbamate groups depend on alkyl substituents at the nitrogen atom.

  • 40.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Pakusina, A. P.
    Blagoveshchensk State Pedagogical University.
    Ivanov, M. A.
    Russian Adademy of Sciences.
    Sharutin, V. V.
    Blagoveshchensk State Pedagogical University.
    Gerasimenko, A. V.
    Russian Adademy of Sciences.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Gröbner, G.
    Umeå university.
    Forsling, Willis
    Synthesis and single-crystal X-ray diffraction and CP/MAS 13C and 15N NMR study of tetraphenylantimony N,N-dialkyldithiocarbamate complexes: a manifestation of conformational isomerism2005In: Doklady. Physical chemistry, ISSN 0012-5016, E-ISSN 1608-3121, Vol. 401, no 4-6, p. 44-48Article in journal (Refereed)
  • 41.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Palazhchenko, V. I.
    Russian Adademy of Sciences.
    Strikha, V.E.
    Russian Adademy of Sciences.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Structural features and NMR195Pt Spectroscopy of cooperite monocrystals (Natural PtS)2006In: Doklady Earth Sciences, ISSN 1028-334X, E-ISSN 1531-8354, Vol. 410, no 7, p. 1141-1144Article in journal (Refereed)
  • 42.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Rody, Tatyana
    Amur State University, Blagoveshchensk, Russian Federation.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Structural organisation of [Ni(II)--Me(II)--Dtc] (Me = Zn, Cd, Hg) Dithiocarbamate complexes: ESR, 13C and 15N CP/MAS NMR studies1998In: Polyhedron, ISSN 0277-5387, E-ISSN 1873-3719, Vol. 17, no 18, p. 3101-3109Article in journal (Refereed)
    Abstract [en]

    Magnetically diluted systems of dithiocarbamate complexes of the type 63,65Cu/[Ni(II)--Me(II)--Dtc] (Me = Zn, Cd, Hg; Dtc = MDtc (dimethyl-) or EDtc (diethyldithiocarbamate)), which model the structural heterogeneity on the local, molecular and supramolecular levels, have been prepared and studied by means of ESR and solid state 13C and 15N CP/MAS NMR spectroscopy.

  • 43.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Zaeva, A. S.
    Blagoveshchensk State Pedagogical University.
    Novikova, E. V.
    Institute of Geology and Nature Management, Blagoveshchensk.
    Rodina, T. A.
    Amur State University, Blagoveshchensk, Russian Federation.
    Forsling, Willis
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Adducts of zinc and copper(II) dialkyldithiocarbamate complexes with dialkylamines: synthesis, EPR, and C-13 and N-15 CP/MAS NMR2007In: Russian Journal of Inorganic Chemistry, ISSN 0036-0236, E-ISSN 1531-8613, Vol. 52, no 5, p. 691-697Article in journal (Refereed)
    Abstract [en]

    Crystalline adducts of zinc and copper(II) dithiocarbamate (Dtc) complexes with dialkylamines [M(NHR′2)(S2CNR2)2] (M = Zn, 63Cu, 65Cu; R = CH3, C2H5, or R2 = (CH2)4O; R′ = C2H5, C3H7) have been preparatively isolated. The structures and spectral properties of the adducts have been studied by EPR and 13C and 15N MAS NMR. Chemisorption of bases on powders of dinuclear dithiocarbamates leads to their dissociation into monomeric adducts. Computer simulation demonstrates that the experimental EPR spectra of isotope-substituted copper(II) adducts have an individual character. The geometry of the copper polyhedra is intermediate between a trigonal bipyramid (TBP) and a tetragonal pyramid (TP). The TBP and TP contributions have been quantified based on EPR data. 13C and 15N MAS NMR data show that the Dtc ligands incorporated into the zinc adduct molecule are structurally nonequivalent. The dependence of the isotropic 15N chemical shifts of the Dtc groups on the alkyl substituents at the nitrogen atom is interpreted based on the concept of joint manifestation of the (+)inductive effect of the alkyl substituents and the mesomeric effect of the Dtc groups

  • 44.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Zaeva, A.S.
    Blagoveshchensk State Pedagogical University.
    Gerasimenko, A.V.
    Institute of Chemistry, Far East Division, Russian Academy of Sciences.
    Forsling, Willis
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Synthesis and single-crystal X-ray diffraction and CP/MAS 13C and 15N NMR study of zinc diethyldithiocarbamate adducts with dialkylamines: manifestation of conformational isomerism2005In: Doklady. Physical chemistry, ISSN 0012-5016, E-ISSN 1608-3121, Vol. 404, no 4-6, p. 205-209Article in journal (Refereed)
  • 45.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Zinkin, S. A.
    Russian Adademy of Sciences.
    Forsling, Willis
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Kritikos, M.
    Stockholm University.
    Structural organization of symmetrical dialkylthiuram disulfides and their cyclic analogs: X-Ray diffraction and CP/MAS (13C, 15N) NMR studies2003In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 29, no 2, p. 142-150Article in journal (Refereed)
    Abstract [en]

    High-resolution 13C and 15N solid-state NMR spectra were recorded for seven crystalline tetraalkyl-thiuram disulfides and their cyclic analogs of the general formula [R2NC(S)S]2 (where R = CH3, C2H5, C3H7, and i-C3H7 or R2 = (CH2)5, (CH2)6, and (CH2)4O). The 15N and 13C NMR resonances were assigned to the particular atoms in the compounds studied. Different isotropic 15N chemical shifts for both dialkyldithiocarbamato groups were interpreted while considering the inductive effects of the alkyl substituents combined with the mesomeric effect of the dithiocarbamato group. X-ray diffraction data were used to refine the molecular structure of bis(cyclohexamethylene)thiuram disulfide and to quantitatively characterize the conformations of the seven-membered N(CH2)6 heterocycles.

  • 46.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Zinkin, S. A.
    Russian Adademy of Sciences.
    Gerasimenko, A. V.
    Russian Adademy of Sciences.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Structural organization of silver(I) complexes with O,O′-dialkyl dithiophosphates: Solid-state 13C and 31P CP/MAS NMR and single-crystal X-ray diffraction studies2007In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 33, no 1, p. 20-31Article in journal (Refereed)
    Abstract [en]

    Silver(I) complexes with four symmetrically substituted O,O′-dialkyl derivatives of dithiophosphoric acid of the general formula [Ag{S2P(OR)2}] n (R = C2H5, i-C3H7, C4H9, and s-C4H9) were obtained. Their structures and spectroscopic characteristics were studied by solid-state 13C and 31P CP/MAS NMR spectroscopy and X-ray diffraction analysis. The parameters of the anisotropy of the 31P chemical shift 31P-δ aniso and η (δ aniso is the chemical shift anisotropy and η is the asymmetry parameter) calculated from the diagrams of the x 2-statistic revealed that the (RO)2PS2 groups act as bridging ligands in all the silver(I) complexes obtained. The hexanuclear complex [Ag6{S2P(O-i-C3H7)2}6] was found to form two modifications α and β. According to the X-ray diffraction data, the silver(I) complex with O,O′-di-s-butyl dithiophosphate exists as discrete hexanuclear molecules [Ag6{S2P(O-s-C4H9)2}6]. In the clear molecules β-[Ag6{S2P(O-i-C3H7)2}6], the signals for the phosphorus atoms were assigned to their positions determined from the X-ray diffraction data.

  • 47.
    Ivanov, Alexander V.
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Zinkin, S.A.
    Amur Institute of Integrated Research, Far East Division, Russian Academy of Sciences.
    Konzelko, A.A
    Amur Institute of Integrated Research, Far East Division, Russian Academy of Sciences.
    Forsling, Willis
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    CP/MAS C-13 and N-15 NMR study of polynuclear silver(I) N, N-diakyldithiocarbamate complexes (R=CH3, C2H5, C3H7, iso-C3H7)2004In: Russian Journal of Inorganic Chemistry, ISSN 0036-0236, E-ISSN 1531-8613, Vol. 49, p. 593-598Article in journal (Refereed)
    Abstract [en]

    Polynuclear silver(I) dialkyldithiocarbamate complexes (R = CH3, C2H5, C3H7, iso-C3H 7) were synthesized and studied by CP/MAS 13C and 15N NMR. The experimental 15N NMR signals were assigned to the positions of nitrogen atoms in the known molecular structures. Differences in the 15N isotropic chemical shifts of the dialkyldithiocarbamate ligands are explained in the framework of the joint manifestation of the mesomeric effect of dithiocarbamate groups and the (+)inductive effect of alkyl substituents

  • 48.
    Ivanov, M.A.
    et al.
    Russian Academy of Sciences, Institute of Geology and Nature Management, Far East Division, Blagoveshchensk.
    Sharutin, V.V.
    Blagoveshchensk State Pedagogical University.
    Ivanov, Alexander
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Gerasimenko, A.V.
    Russian Academy of Sciences, Institute of Geology and Nature Management, Far East Division, Vladivostok.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Synthesis, structure, and 13C and 31P CP/MAS NMR of the tetraphenylantimony(V) di-iso-propyl phosphorodithioate complex [Sb(C6H5)4{S2P(O-iso-C3H7)2}] and its solvated form [Sb(C6H5)4{S2P(O-iso-C3H7)2}] · 1/2C6H6: an example of the monodentate coordination of dithio ligands2009In: Russian Journal of Inorganic Chemistry, ISSN 0036-0236, E-ISSN 1531-8613, Vol. 54, no 5, p. 708-716Article in journal (Refereed)
    Abstract [en]

    The crystalline tetraphenylantimony(V) O,O′-di-iso-propyl phosphorodithioate complex [Sb(C6H5)4{S2P(O-i-C3H7)2}](I) and its solvated form [Sb(C6H5)4{S2P(O-i-C3H7)2}] · 1/2C6H6(II) were synthesized. Solid compounds I and II were studied by MAS NMR (13C, 31P). The 31P NMR chemical shift anisotropy 31P δaniso = (δ zz - δiso) and asymmetry parameter η = (δ yy - δ xx )/(δ zz - δiso) were calculated using χ 2 plots constructed on the basis of the 31P MAS NMR data. The O,O′-di-iso-propyl phosphorodithioate ligands in both complexes are characterized by predominantly the axially symmetric 31P chemical shift tensor (for the case δ zz < δ xx ≈ δ yy ) with close values of anisotropy parameters (δaniso and η), which reflects their identical S-monodentate structural function. X-ray crystallography showed that II has a trigonal-bipyramidal molecular structure with the uncommon monodentate coordination of the Dtph ligands through an S atom in an axial position of the trigonal bipyramid and the benzene molecule in the outer sphere.

  • 49.
    Ivanov, M.A.
    et al.
    Institute of Geology and Nature Management, Far East Branch, Russian Academy of Sciences, Blagoveshchensk.
    Sharutin, V.V.
    Blagoveshchensk State Pedagogical University.
    Ivanov, Alexander V.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Gerasimenko, A.V.
    Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences, 690022, Vladivostok.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Tetraphenylantimony(V) O,O″-dialkyl dithiophosphates [Sb(C 6H5)4{S2P(OR)2}] (R = s-C4H9, c-C6H11): synthesis, structures, and 13C and 31P CP/MAS NMR spectra2008In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 34, no 7, p. 527-535Article in journal (Refereed)
    Abstract [en]

    Tetraphenylantimony(V) O,O′-di-sec-butyl dithiophosphate (I) and tetraphenylantimony(V) O,O′-dicyclohexyl dithiophosphate (II) [Sb(C 6H5)4{S2P(OR)2}] (R = sec-C4H9 or cyclo-C6H11) were obtained. Their structures and spectroscopic properties were studied by X-ray diffraction analysis and 13C and 31P CP/MAS NMR spectroscopy. The dithiophosphate (Dtph) ligands in complexes I and II were found to be coordinated in S-monodentate and S,S′-bidentate fashions, respectively (MAS NMR data). According to X-ray diffraction data, the coordination polyhedron of antimony in molecular structure I is a trigonal bipyramid with unusual monodentate coordination of the Dtph group in the axial position.

  • 50.
    Ivanov, Maxim A.
    et al.
    Institute of Geology and Nature Management, Far East Branch, Russian Academy of Sciences, Blagoveshchensk.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Sharutin, Vladimir V.
    Blagoveshchensk State Pedagogical University.
    Ivanov, Alexander V.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Pakusina, Antonya P.
    Blagoveshchensk State Pedagogical University.
    Pushilin, Mikhail A.
    Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences.
    Forsling, Willis
    Preparation and structural organisation of heteroleptic tetraphenylantimony(V) complexes comprising unidentately and bidentately coordinated O,O'-dialkyldithiophosphate groups: multinuclear (C-13 P-31) CP/MAS NMR and single-crystal X-ray diffraction studies2007In: Inorganica Chimica Acta, ISSN 0020-1693, E-ISSN 1873-3255, Vol. 360, no 9, p. 2897-2904Article in journal (Refereed)
    Abstract [en]

    O,O′-dipropyldithiophosphate and O,O′-di-iso-butyldithiophosphate (Dtph) tetraphenylantimony(V) complexes of the general formula [Sb(C6H5)4{S2P(OR)2}] (R = C3H7, i-C4H9) were prepared and studied by means of 13C, 31P CP/MAS NMR spectroscopy and single-crystal X-ray diffraction. Distorted octahedral and trigonal bipyramidal molecular structures have been established for prepared complexes. These unexpected structural distinctions between chemically related compounds are defined by the principally different coordination modes of O,O′-dipropyldithiophosphate and O,O′-di-iso-butyldithiophosphate ligands in their molecular structures (i.e., S,S′-bidentate chelating and S-unidentately coordinated, respectively). To characterise quantitatively phosphorus sites in both species of dithiophosphate ligands, 31P chemical shift anisotropy parameters (δaniso and η) were calculated from spinning sideband manifolds in MAS NMR spectra. The 31P chemical shift tensors for the bidentate chelating and unidentately coordinated dithiophosphate ligands display a profoundly rhombic and nearly axially symmetric characters, respectively.

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