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  • 201.
    Hafeez, Abdul
    et al.
    Department of Chemistry, Quaid-i-Azam University, Islamabad, Pakistan.
    Akhter, Zareen
    Department of Chemistry, Quaid-i-Azam University, Islamabad, Pakistan.
    Gallagher, John F.
    School of Chemical Sciences, Dublin City University, Glasnevin, Dublin, Ireland.
    Khan, Nawazish Ali
    Materials Science Laboratory, Department of Physics, Quaid-i-Azam University, Islamabad, Pakistan.
    Gul, Asghari
    Department of Chemistry, COMSATS University, Islamabad, Pakistan.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Synthesis, Crystal Structures, and Spectroscopic Characterization of Bis-aldehyde Monomers and Their Electrically Conductive Pristine Polyazomethines2019In: Polymers, ISSN 2073-4360, E-ISSN 2073-4360, Vol. 11, no 9, article id 1498Article in journal (Refereed)
    Abstract [en]

    Bis-aldehyde monomers 4-(4′-formyl-phenoxy)benzaldehyde (3a), 3-methoxy-4-(4′-formyl-phenoxy)benzaldehyde (3b), and 3-ethoxy-4-(4′-formyl-phenoxy)benzaldehyde (3c) were synthesized by etherification of 4-fluorobenzaldehyde (1) with 4-hydroxybenzaldehyde (2a), 3-methoxy-4-hydroxybenzaldehyde (2b), and 3-ethoxy-4-hydroxybenzaldehyde (2c), respectively. Each monomer was polymerized with p-phenylenediamine and 4,4′-diaminodiphenyl ether to yield six poly(azomethine)s. Single crystal X-ray diffraction structures of 3b and 3c were determined. The structural characterization of the monomers and poly(azomethine)s was performed by FT-IR and NMR spectroscopic techniques and elemental analysis. Physicochemical properties of polymers were investigated by powder X-ray diffraction, thermogravimetric analysis (TGA), viscometry, UV–vis, spectroscopy and photoluminescence. These polymers were subjected to electrical conductivity measurements by the four-probe method, and their conductivities were found to be in the range 4.0 × 10−5 to 6.4 × 10−5 Scm−1, which was significantly higher than the values reported so far.

  • 202.
    Haigh, J. A.
    et al.
    University of Southampton.
    Hendra, P. J.
    University of Southampton.
    Forsling, Willis
    Extension of a novel method for the examination of oxidized aluminium surfaces using near infrared (NIR) Fourier transform surface enhanced Raman spectroscopy (FT-SERS)1994In: Spectrochimica Acta. Part A, Molecular Spectroscopy, ISSN 0584-8539, Vol. 50, no 11, p. 2027-2034Article in journal (Refereed)
    Abstract [en]

    A SERS active substrate is created on a non-SERS active oxidized aluminium foil. Identification of phthalic acid and phenylphosphate using near infrared FT-SERS is made and possible orientations are proposed.

  • 203.
    Hall, Colin J.
    et al.
    Ian Wark Research Institute, University of South Australia.
    Ponnusamy, Thirunavukkarasu
    Ian Wark Research Institute, University of South Australia.
    Murphy, Peter J.
    Mawson Institute, University of South Australia.
    Lindberg, Mats
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Griesser, Hans J.
    Mawson Institute, University of South Australia.
    A solid-state nuclear magnetic resonance study of post-plasma reactions in organosilicone microwave plasma-enhanced chemical vapor deposition (PECVD) coatings2014In: ACS Applied Materials and Interfaces, ISSN 1944-8244, E-ISSN 1944-8252, Vol. 6, no 11, p. 8353-8362Article in journal (Refereed)
    Abstract [en]

    Plasma-polymerized organosilicone coatings can be used to impart abrasion resistance and barrier properties to plastic substrates such as polycarbonate. Coating rates suitable for industrial-scale deposition, up to 100 nm/s, can be achieved through the use of microwave plasma-enhanced chemical vapor deposition (PECVD), with optimal process vapors such as tetramethyldisiloxane (TMDSO) and oxygen. However, it has been found that under certain deposition conditions, such coatings are subject to post-plasma changes; crazing or cracking can occur anytime from days to months after deposition. To understand the cause of the crazing and its dependence on processing plasma parameters, the effects of post-plasma reactions on the chemical bonding structure of coatings deposited with varying TMDSO-to-O2 ratios was studied with 29Si and 13C solid-state magic angle spinning nuclear magnetic resonance (MAS NMR) using both single-pulse and cross-polarization techniques. The coatings showed complex chemical compositions significantly altered from the parent monomer. 29Si MAS NMR spectra revealed four main groups of resonance lines, which correspond to four siloxane moieties (i.e., mono (M), di (D), tri (T), and quaternary (Q)) and how they are bound to oxygen. Quantitative measurements showed that the ratio of TMDSO to oxygen could shift the chemical structure of the coating from 39% to 55% in Q-type bonds and from 28% to 16% for D-type bonds. Post-plasma reactions were found to produce changes in relative intensities of 29Si resonance lines. The NMR data were complemented by Fourier transform infrared (FTIR) spectroscopy. Together, these techniques have shown that the bonding environment of Si is drastically altered by varying the TMDSO-to-O2 ratio during PECVD, and that post-plasma reactions increase the cross-link density of the silicon-oxygen network. It appears that Si-H and Si-OH chemical groups are the most susceptible to post-plasma reactions. Coatings produced at a low TMDSO-to-oxygen ratio had little to no singly substituted moieties, displayed a highly cross-linked structure, and showed less post-plasma reactions. However, these chemically more stable coatings are less compatible mechanically with plastic substrates, because of their high stiffness

  • 204.
    Hedlund, Jonas
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering. Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Yu, Liang
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Nobandegani, Mojtaba
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Diffusion of small molecules in ultra-thin MFI membranes2019Conference paper (Refereed)
  • 205.
    Hegedűs, Péter
    et al.
    Department of General and Inorganic Chemistry, Institute of Chemistry, University of Pannonia, Hungary.
    Szabó-Bárdos, Erzsébet
    Department of General and Inorganic Chemistry, Institute of Chemistry, University of Pannonia, Hungary.
    Horváth, Ottó
    Department of General and Inorganic Chemistry, Institute of Chemistry, University of Pannonia, Hungary.
    Szabó, Péter
    Department of Analytical Chemistry, Institute of Chemistry, University of Pannonia, Hungary.
    Horváth, Krisztián
    Department of Analytical Chemistry, Institute of Chemistry, University of Pannonia, Hungary.
    Investigation of a TiO2 photocatalyst immobilized with poly(vinyl alcohol)2017In: Catalysis Today, ISSN 0920-5861, E-ISSN 1873-4308, Vol. 284, p. 179-186Article in journal (Refereed)
    Abstract [en]

    Immobilization of TiO2 photocatalyst was realized with application of poly(vinyl alcohol) (PVA). However, these PVA-based foils were too instable to be used for photocatalytic water cleaning. Their stability could be significantly enhanced by a thermal treatment, but this procedure generated various water-soluble derivatives such as aldehydes, ketones, and aromatic species. Photocatalytic pre-treatment of the foils proved to be suitable to remove these products from the surface of the composite. After three subsequent pre-treating cycles of irradiation and rinsing, the PVA-TiO2 foil became applicable for photocatalytic degradation of Triton X-100, a widely used non-ionic detergent. The composite catalyst kept its stability and efficiency even after some cycles of re-usage, while its surface underwent a perceptible, although quantitatively negligible degradation.

  • 206. Hellberg, M.
    et al.
    Norling, N.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Almqvist, Nils
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Morphlogy and growth kinetics of Alzheimer's amyloid beta-peptides, Aβ(1-40) and the Arctic mutation Aβ(1-40)(E22G): in situ atomic force microscopy study2004In: Amyloid and amyloidosis: the proceedings of the Xth International Symposium on Amyloidosis / [ed] Martha Skinner; Gilles Grateau; Robert A. Kyle, Boca Raton, Fla: CRC Press, 2004, p. 408-410Conference paper (Refereed)
  • 207. Hellberg, Magnus
    et al.
    Norlin, Nils
    Olevik, David
    Almqvist, Nils
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    In situ scanning probe microscopy studies of morphology and growth kinetics in amyloid-peptide fibrillogenesis with custom designed tapping mode and pulsed force mode systems2004In: Proceedings of 5th Nordic-Baltic Scanning Probe Microscopy Workshop, 2004, p. 93-95Conference paper (Refereed)
    Abstract [en]

    We have used a commercial Nanoscope II atomic force microscope (AFM) with a custom designedtapping mode (TM) system to in situ monitor amyloid β-peptide aggregation related to Alzheimer’sdisease (AD). The custom tapping mode setup was successfully used to image the real timeaggregation behaviour of the arctic mutation amyloid β-peptide, Aβ(1-40), in vitro in aphysiologically relevant buffer and compare with the behaviour of the normal wild type of theAlzheimer’s amyloid peptide Aβ(1-40) at the same conditions. The investigation revealed distinctdifferences in fibrillogenesis behaviour for the two peptides. Our results demonstrate a previouslysuggested alternative fibrillogenesis pathway, of highly distinct aggregates with orderedmorphology as on-pathway. Moreover, additional investigations using a pulsed force mode (PFM)are under way.

  • 208. Hellström, Pär
    et al.
    Holmgren, Allan
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Öberg, Sven
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.
    An ab initio study of ethyl xanthate adsorbed on Ge(111) surfaces2007In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 111, no 45, p. 16920-16926Article in journal (Refereed)
    Abstract [en]

    The interaction between adsorbed ethyl xanthate on a clean Ge(111) surface and a hydroxylated surface was studied, using first-principle density functional theory. Geometrically optimized structures are presented and discussed. Results suggest a bidentate bridging conformation on a clean Ge(111) surface, whereas a monodentate bonding is preferred when the surface is saturated by hydrogen atoms. Then the interaction with a hydroxylated surface was considered. The lowest energy configuration was obtained when xanthate binds with one sulfur to the surface and with the other to an OH group adsorbed on the surface. A marker for this configuration was found in the vibrational spectra at 3200 cm-1. Vibrational frequencies down to 250 cm-1 were calculated and assigned to vibrational modes and presented together with the calculated infrared spectra. The tilt angle of the hydrocarbon chain was also investigated.

  • 209. Hellström, Pär
    et al.
    Öberg, Sven
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.
    Fredriksson, Andreas
    Holmgren, Allan
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    A theoretical and experimental study of vibrational properties of alkyl xanthates2006In: Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, E-ISSN 1873-3557, Vol. 65, no 3-4, p. 887-895Article in journal (Refereed)
    Abstract [en]

    Geometrical structure and vibrational modes of potassium and sodium ethyl/heptyl xanthates were studied, using both theoretical and experimental methods. Both Hartree-Fock and density functional theory were used. The experimental method used was infrared absorption spectroscopy (FTIR). Our work showed that vibrational frequencies calculated with density functional theory, using the local density approximation, are in very good agreement with experiments. The results were not improved by using the more sophisticated and computationally demanding B3LYP functional.

  • 210.
    Hernández-Laguna, Alfonso
    et al.
    Instituto Andaluz de Ciencias de la Tierra (CSIC-UGR), Granada, Spain.
    Pérez del Valle, Carlos
    DCM and ISTerre, Université Grenoble Alps, France.
    Hernández-Haro, Noemí
    Departament de Química, Universitat de les Illes Balears, Palma de Mallorca, Spain.
    Ortega-Castro, Joaquín
    Departament de Química, Universitat de les Illes Balears, Palma de Mallorca, Spain.
    Muñoz-Santiburcio, Daniel
    Instituto Andaluz de Ciencias de la Tierra (CSIC-UGR), Granada, Spain. CIC nanoGUNE, San Sebastián, Spain.
    Vidal, Isaac
    Apoyo a la Docencia - Centro de Servicios de Informática y Redes de Comunicaciones, Universidad de Granada, Granada, Spain. Grupo de Modelización y Diseño Molecular, Departamento de Química Orgánica, Facultad de Ciencias, Universidad de Granada, Granada, Spain.
    Sánchez-Navas, Antonio
    Instituto Andaluz de Ciencias de la Tierra (CSIC-UGR), Granada, Spain. Departamento de Mineralogía y Petrología, Facultad de Ciencias, Universidad de Granada, Granada, Spain.
    Escamilla-Roa, Elizabeth
    Luleå University of Technology, Department of Computer Science, Electrical and Space Engineering, Space Technology. Instituto Andaluz de Ciencias de la Tierra (CSIC-UGR), Granada, Spain..
    Sainz-Díaz,, Claro Ignacio
    Compressibility of 2M1 muscovite-phlogopite series minerals2019In: Journal of Molecular Modeling, ISSN 1610-2940, E-ISSN 0948-5023, Vol. 25, no 11, article id 341Article in journal (Refereed)
    Abstract [en]

    Muscovite (Ms) and phlogopite (Phl) belong to the 2:1 dioctahedral and trioctahedral layer silicates, respectively, and are the end members of Ms-Phl series minerals. This series was studied in the 2M1 polytype and modeled by the substitution of three Mg2+ cations in the Phl octahedral sites by two Al3+ and one vacancy, increasing the substitution up to reach the Ms. The series was computationally examined at DFT level as a function of pressure to 9 GPa. Cell parameters as a function of pressure and composition, and bulk moduli as a function of the composition agrees with the existing experimental results. The mixing Gibbs free energy was calculated as a function of composition. From these data, approximated solvi were calculated at increasing pressure. A gap of solubility is found, decreasing the gap of solubility at high pressure.

  • 211.
    Hjalmarsson, Nicklas
    et al.
    Surface and Corrosion Science, School of Chemical Science and Engineering, KTH – Royal Institute of Technology.
    Asencio, Rubén Álvarez
    Surface and Corrosion Science, School of Chemical Science and Engineering, KTH – Royal Institute of Technology.
    Sweeney, James
    Centre for Advanced Particle Processing and Transport, University of Newcastle, Callaghan, NSW.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Schaufelberger, Fredrik
    Organic Chemistry, School of Chemical Science and Engineering, KTH – Royal Institute of Technology, Stockholm.
    Ramström, Olof
    Organic Chemistry, School of Chemical Science and Engineering, KTH – Royal Institute of Technology, Stockholm.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Atkin, Rob
    Surface and Corrosion Science, School of Chemical Science and Engineering, KTH – Royal Institute of Technology.
    Glavatskih, Sergei
    Department of Physics, Warwick University, Coventry.
    Rutland, Mark W.
    Surface and Corrosion Science, School of Chemical Science and Engineering, KTH – Royal Institute of Technology.
    Biodegradable ionic liquids as lubricants2013Conference paper (Refereed)
  • 212.
    Holmgren, Allan
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Bergström, B.
    Swedish University of Agricultural Sciences, Department of Forest Genetics and Plant Physiology.
    Gref, R.
    Ericsson, A.
    Detection of pinosylvins in solid wood of Scots pine using Fourier transform Raman and infrared spectroscopy1999In: Journal of wood chemistry and technology, ISSN 0277-3813, E-ISSN 1532-2319, Vol. 19, no 1-2, p. 139-150Article in journal (Refereed)
    Abstract [en]

    Diffuse reflectance Fourier transform infrared (DRIFT) and near infrared (NIR) FT-Raman spectroscopy were used to detect pinosylvins in the wood of Pinus sylvestris L. trees. NIR FT-Raman spectroscopy offered the possibility of revealing pinosylvins simply by visual inspection of Raman spectra whereas DRIFT spectra needed a more complicated evaluation. Pinosylvin and resin acids from Scots pine were examined as to the possibility of their being the cause of observed spectral differences between sapwood and heartwood. Since pinosylvins are important compounds for the decay resistance of Scots pine wood, the detection of pinosylvins with Raman spectroscopy might be used to assess durability of wood products.

  • 213.
    Holmgren, Allan
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    A prestudy of the recycling properties of aircraft de-/anti-icing fluids1995Report (Other academic)
  • 214.
    Holmgren, Allan
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Polubotko, A. M.
    Russian Adademy of Sciences.
    SER spectra analysis of molecules with D-3h and D-6h symmetry groups1998In: Pure and Applied Optics, ISSN 0963-9659, Vol. 7, no 1, p. 115-117Article in journal (Refereed)
    Abstract [en]

    On the basis of the theory of SER spectra, proposed in a previous paper, the SER spectra of 1,3,5-trifluorobenzene, 1,3,5-trideuteriobenzene, benzene and hexafluorobenzene are analysed. It is demonstrated that the bands, caused by the totally symmetric modes and by the mode transforming as the d(z) moment experience large enhancement. The existence of a large number of forbidden bands in the SER spectra is pointed out. Some anomalies in the enhanced spectra are explained by qualitative ideas and by the 'interference phenomenon' of various contributions. It is pointed out that all the observed lines and regularities of the SER spectra can be explained within the framework of the quadrupole and dipole electrodynamical mechanism of the enhancement.

  • 215.
    Holmgren, Allan
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Wu, Liuming
    Luleå tekniska universitet.
    An FT-IR study of Alizarin Red S adsorbed at the fluorapatite-water interface1997In: Microchimica Acta, ISSN 0026-3672, E-ISSN 1436-5073, Vol. Suppl. 14, p. 197-199Article in journal (Refereed)
    Abstract [en]

    The diffuse reflectance infrared Fourier transform (DRIFT) technique was used to study sodium 1,2-dihydroxyanthraquinone-3-sulphonate (ARS) adsorbed onto the surface of fluorapatite mineral. The acidity of the water solution was varied between pH 5.4 and pH 8.4. In this pH range the infrared spectra of adsorbed ARS show that the fluorapatite surface contains precipitated calcium-ARS. The chelation of calcium strongly affects the resonance structure of the ARS molecule.

  • 216.
    Holmgren, Allan
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Lidström-Larsson, Margareta
    Luleå University of Technology.
    Hedlund, Jonas
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Sterte, Johan
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Grahn, Mattias
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Wang, Zheng
    Luleå University of Technology.
    Sensor for spectroscopic analysis of gases or liquids, comprises attenuated total reflection element with molecular sieve layerPatent (Other (popular science, discussion, etc.))
  • 217.
    Holmgren, Allan
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Mohammed-Ziegler, Ildiko
    Hemercy KKT, H-2521 Csolnok, Arany J.u. 28..
    Forsling, Willis
    Ranheimer, Maine
    Luleå tekniska universitet.
    Adsorption of pinosylvin onto different species of fresh and stored wood2010In: Materials Science: An Indian Journal, ISSN 0974-7486, Vol. 6, no 4Article in journal (Refereed)
    Abstract [en]

    The adsorption of pinosylvin - a natural antifungal agent - on wood was studied by Raman microprobe technique. The adsorption properties of twelve different European wood species were compared. The effect of solvents used, heat treatment, and prolonged storage of the samples on pinosylvin adsorption ability was analysed by means of the Raman intensity ratios of characteristic lines. It was found that the surface concentration of pinosylvin increased when the Lewis acidity of the solvent increased. Besides, adsorption of pinosylvin was less efficient on during prolonged storage the surface of wood became more hydrophobic after prolonged sample storage. In case of heat treatment (1200C, 3 h) no remarkable effect on the amount of adsorbed pinosylvin was observed. Simultaneously, the intensity of the fluorescence background increases. Moreover, the possible influence of B.E.T. specific surface area and lignin content (described by the kappa-value) on the amount of adsorbed pinosylvin was investigated. As revealed, B.E.T. specific surface area did not vary significantly between the different wood species, and therefore it has no significant effect on the efficiency of pinosylvin adsorption. However, the surface concentration of pinosylvin seems to increas with the lignin content. The amount of solvent residue in each sample was measured by diffuse reflectance infrared Fourier transform (DRIFT) technique. For a few wood samples (e.g. pine heartwood, ash, and Hungarian oak) UV-Raman scattering was used to characterize the aromatic components of these wood species. The morphology of the samples was investigated with the aid of scanning electron microscopy (SEM) images. Furthermore, the B.E.T. specific surface area was found not to vary significantly between the different wood species, and therefore it has no significant effect on the efficiency of pinosylvin adsorption. However, the surface concentration of pinosylvin seems to increas with the lignin content. DRIFT spectroscopy was found to be useful to detect solvent residue in the wood samples and the evaporation of polar solvents is a rather slow process. However, it was not possible to detect adsorbed pinosylvin by DRIFT measurements, due to the low concentration and the lack of characteristic frequencies differing from other wood constituents.

  • 218.
    Holmgren, Allan
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Wu, Liuming
    Luleå University of Technology.
    Forsling, Willis
    Fourier transform infrared and Raman study of Alizarin Red S adsorbed at the fluorite-water interface1999In: Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, E-ISSN 1873-3557, Vol. 55, no 9, p. 1721-1730Article in journal (Refereed)
    Abstract [en]

    The adsorption of 1,2-dihydroxyanthraqinone-3-sulphonate (ARS) onto the surface of fluorite mineral was studied using diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy and Fourier transform (FT) Raman spectroscopy. The FT-Raman method proved to be more appropriate for this study when ARS was adsorbed from alkaline solution. At pH 6 both DRIFT and Raman spectra indicate non-precipitated ARS on the fluorite surface. At higher pH Raman spectra indicate ARS to be attached to the fluorite surface through the quinoid group at the 9-position and the α-phenolic oxygen.

  • 219.
    Holmgren, Allan
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Wu, Liuming
    Luleå University of Technology.
    Forsling, Willis
    Surface hydration of aqueous calcium minerals as studied by Fourier transform Raman and infrared spectroscopy1994In: Spectrochimica Acta. Part A, Molecular Spectroscopy, ISSN 0584-8539, Vol. 50, no 11, p. 1857-1869Article in journal (Refereed)
    Abstract [en]

    Rapid hydration reactions of several calcium minerals are studied using Fourier transform (FT) Raman and infrared (IR) spectroscopy. Oleate adsorption over aqueous synthetic fluorite, calcite and gypsum (pH 9) is investigated and adsorption mechanisms are discussed.

  • 220.
    Holmgren, Allan
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Yang, Xiaofang
    A polarized Fourier transform infrared spectrometry attenuated total reflection study of bentonite settled onto magnetite2008In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 112, no 42, p. 16609-16615Article in journal (Refereed)
    Abstract [en]

    Sodium bentonite in aqueous suspension was allowed to settle onto a layer of magnetite, and the orientation of the bentonite platelets was monitored using the Fourier transform infrared spectrometry-attenuated total reflection technique. This study is the first reported use of polarized IR to study the in situ settling of delaminated bentonite platelets onto a thin layer of magnetite nanoparticles. The experiment was performed at a pH value (pH 5.6) close to the point of zero charge for the edge surfaces of the bentonite platelets in order to possibly enhance the probability for the (001) surface of bentonite to adhere to the positively charged magnetite particles. The order parameter (S) of the platelets was calculated both for the dry film and the film formed during water evaporation. These results were compared with the orientation of bentonite platelets on the internal reflection element (ZnSe) without magnetite particles, a system where the three layer model is valid. During settling of the bentonite, the tilt angle of the normal to the (001) surface of the platelets decreases and reaches a minimum value for the dry film. When the film is still covered by a layer of water, the tilt angles indicate the film to be at least partly built up of so-called card-house structures, implying that the edge surfaces of the platelets are at least partly adhering to the basal (001) surfaces.

  • 221.
    Horváth, E.
    et al.
    Hungarian Academy of Sciences.
    Kristóf, J. J.
    University of Veszprem.
    Frost, R. L.
    Queensland University of Technology.
    Rintoul, L.
    Queensland University of Technology.
    Rédey, Á.
    University of Veszprem.
    Forsling, Willis
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Investigation of mandelic acid bonding on Pirkle type chromatographic stationary phases by Raman spectroscopy2000In: Journal of Chromatography A, ISSN 0021-9673, E-ISSN 1873-3778, Vol. 893, no 1, p. 37-46Article in journal (Refereed)
    Abstract [en]

    The bonding of mandelic acid enantiomers has been studied on benzene-leucine, dinitrobenzene-leucine and dinitrobenzene-phenylalanine type chiral stationary phases connected to zeolite A supports. The π-donor, π-acceptor and H-bonding interactions responsible for diastereomer pair formations can be studied under quasi in situ chromatographic conditions by Fourier transform Raman and surface enhanced Raman spectroscopic techniques. Structural differences between diastereomer pairs result in observable spectral differences at a phase load of approx. 50%. It was shown that the decreasing π-acceptor character of the phase is associated with its increasing capability of H-bond formation. Correlating spectral data to chromatographic results it can be concluded that, in addition to H-bonding as well as to π-donor-π-acceptor interactions, steric hindrances due to bulky moieties of either the stationary phase or the analyte molecules are of importance in successful separations.

  • 222.
    Huang, Rick K.
    et al.
    Laboratory of Structural Biology, National Institute of Arthritis, Musculoskeletal, and Skin Diseases, National Institutes of Health, Bethesda, Maryland.
    Baxa, Ulrich
    Laboratory of Structural Biology, National Institute of Arthritis, Musculoskeletal, and Skin Diseases, National Institutes of Health, Bethesda, Maryland.
    Aldrian, Gudrun
    Centre de Recherches de Biochimie Macromoléculaire, CNRS, University of Montpellier 1 and 2.
    Ahmed, Abdullah B.
    Centre de Recherches de Biochimie Macromoléculaire, CNRS, University of Montpellier 1 and 2.
    Wall, Joseph P.
    Department of Biology, Brookhaven National Laboratory, Upton New York.
    Mizuno, Naoko
    Laboratory of Structural Biology, National Institute of Arthritis, Musculoskeletal, and Skin Diseases, National Institutes of Health, Bethesda, Maryland.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Steven, Alasdair C.
    Laboratory of Structural Biology, National Institute of Arthritis, Musculoskeletal, and Skin Diseases, National Institutes of Health, Bethesda, Maryland.
    Kajava, Andrey V.
    Centre de Recherches de Biochimie Macromoléculaire, CNRS, University of Montpellier 1 and 2.
    Conformational Switching in PolyGln Amyloid Fibrils Resulting from a Single Amino Acid Insertion2014In: Biophysical Journal, ISSN 0006-3495, E-ISSN 1542-0086, Vol. 106, no 10, p. 2134-2142Article in journal (Refereed)
    Abstract [en]

    The established correlation between neurodegenerative disorders and intracerebral deposition of polyglutamine aggregates motivates attempts to better understand their fibrillar structure. We designed polyglutamines with a few lysines inserted to overcome the hindrance of extreme insolubility and two D-lysines to limit the lengths of β-strands. One is 33 amino acids long (PolyQKd-33) and the other has one fewer glutamine (PolyQKd-32). Both form well-dispersed fibrils suitable for analysis by electron microscopy. Electron diffraction confirmed cross-β structures in both fibrils. Remarkably, the deletion of just one glutamine residue from the middle of the peptide leads to substantially different amyloid structures. PolyQKd-32 fibrils are consistently 10–20% wider than PolyQKd-33, as measured by negative staining, cryo-electron microscopy, and scanning transmission electron microscopy. Scanning transmission electron microscopy analysis revealed that the PolyQKd-32 fibrils have 50% higher mass-per-length than PolyQKd-33. This distinction can be explained by a superpleated β-structure model for PolyQKd-33 and a model with two β-solenoid protofibrils for PolyQKd-32. These data provide evidence for β-arch-containing structures in polyglutamine fibrils and open future possibilities for structure-based drug design.

  • 223.
    Ildikó, Száraz
    et al.
    Luleå University of Technology.
    Forsling, Willis
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    PVP and azelaic acid adsorption on γ-alumina studied by FT-IR spectroscopy2002In: Vibrational Spectroscopy, ISSN 0924-2031, E-ISSN 1873-3697, Vol. 29, no 1-2, p. 15-20Article in journal (Refereed)
    Abstract [en]

    The adsorption mechanism of poly(1-vinyl-2-pyrrolidone) (PVP) and azelaic acid on synthetic γ-aluminium oxide surfaces was investigated using FT-IR spectroscopy. It was found that PVP adsorption from both aqueous and ethylene glycol (EG) solutions, was negligible, but the presence of the dicarboxylic acid enhances the adsorption of the PVP, due to a hydrophobic interaction between the carbon chains of the polymer and the dicarboxylic acid. The carbon chain of the adsorbed dicarboxylic acid is lateral to the surface and attached to it by both carboxylic groups. The simultaneous adsorption of PVP and azelaic acid was studied as a function of time, pH, solvent and ionic strength of the suspension in order to establish a more detailed surface complexation model. Three main surface complexes were found on the surface of the γ-alumina at low pH in aqueous as well as in EG solutions, while at high pH one of them namely the outer-sphere complex dominates.

  • 224.
    Ingri, Johan
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Geosciences and Environmental Engineering.
    Malinovskiy, Dmitry
    Rodushkin, Ilia
    Baxter, Douglas
    Widerlund, Anders
    Andersson, Per
    Laboratory for Isotope Geology. Swedish Museum of Natural History, Stockholm.
    Gustafsson, Örjan
    Institute of Applied Environmental Research (ITM), Stockholm University.
    Forsling, Willis
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Iron isotope fractionation in river colloidal matter2006In: Earth and Planetary Science Letters, ISSN 0012-821X, E-ISSN 1385-013X, Vol. 245, no 3-4, p. 792-798Article in journal (Refereed)
    Abstract [en]

    Temporal variations in the iron isotopic composition, δ56Fe between − 0.13‰ and 0.31‰, have been measured in the suspended fraction in a Boreal river. The major mechanism behind these variations is temporal mixing between two types of particles–colloids, Fe-oxyhydroxides and Fe–C colloids. Data in this study indicate that these two types of colloids have different Fe-isotope composition. The Fe–C colloid has a negative δ56Fe value whereas the Fe-oxyhydroxide colloid is enriched in 56Fe. These two types of colloidal matter have different hydrogeochemical origin. The Fe–C colloid reaches the river during storm events when the upper sections of the soil profile (O and E horizons) are flooded by a rising water table. Colloidal Fe-oxyhydroxides reach the river via inflow and subsequent oxidation of groundwater enriched in dissolved Fe(II).

  • 225.
    Ishikawa, Kunio
    et al.
    Department of Biomaterials, Faculty of Dental Science, Kyushu University, Maidashi, Higashi-Ku, Fukuoka, Japan.
    Garskaite, Edita
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Wood Science and Engineering. Institute of Chemistry, Vilnius University, Vilnius, Lithuania.
    Kareiva, Aivaras
    Institute of Chemistry, Vilnius University, Vilnius, Lithuania.
    Sol–gel synthesis of calcium phosphate-based biomaterials: A review of environmentally benign, simple, and effective synthesis routes2020In: Journal of Sol-Gel Science and Technology, ISSN 0928-0707, E-ISSN 1573-4846Article, review/survey (Refereed)
    Abstract [en]

    In this review article the available results about application of sol–gel synthesis method for the preparation of different calcium phosphates and composite materials are summarized. The attention is paid to calcium phosphate-containing compounds which show the biological properties and could be used as potential phosphate bioceramics in medicine. It was demonstrated that the sol–gel synthesis method is a powerful tool for the synthesis of calcium hydroxyapatite and other phosphates, and different calcium phosphate-based composites at mild synthetic conditions resulted in high reproducibility, high phase purity, and desired morphology. Thus, the sol–gel synthesis method enables the researchers to develop biomaterials with superior features in terms of biomedical applications.

  • 226.
    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.

  • 227.
    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.

  • 228.
    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.

  • 229.
    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)
  • 230.
    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.

  • 231.
    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.

  • 232.
    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)
  • 233.
    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.

  • 234.
    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.

  • 235.
    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

  • 236.
    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.

  • 237.
    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)
  • 238.
    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.

  • 239.
    Ivanov, Alexander V.
    et al.
    Institute of Geology and Nature Management, Far East Branch, Russian Academy of Sciences, Blagoveshchensk.
    Bredyuk, O.A.
    Institute of Geology and Nature Management, Far East Branch, Russian Academy of Sciences, Blagoveshchensk.
    Loseva, Olga V.
    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, Chemical Engineering.
    Synthesis, Supramolecular Self-Organization, and Thermal Behavior of Gold(III)–Thallium(III) Heteronuclear Complexes ([Au{S2CN(CH3)2}2][TlCl4])2 and ([Au{S2CN(C2H5)2}2][TlCl4]) n2016In: Russian Journal of Inorganic Chemistry, ISSN 0036-0236, E-ISSN 1531-8613, Vol. 61, no 6, p. 755-765Article in journal (Refereed)
    Abstract [en]

    The interaction of polymeric thallium(I) dimethyl- and diethyldithiocarbamates with [AuCl4]– in 2 M HCl has been studied. Heteropolynuclear complexes ([Au{S2CN(CH3)2}2][TlCl4])2 (I) and ([Au{S2CN(C2H5)2}2][TlCl4]) n (II) have been preparatively isolated from chemisorption systems [Tl2{S2CNR2}2] n –Au3+/2 M HCl (R = CH3, C2H5). These compounds have been characterized by 13C CP/MAS NMR, and their crystal and supramolecular structures have been determined by X-ray crystallography. Basic structural units of compounds I and II are square-planar [Au{S2CNR2}2]+ cations (with S,S'- bidentate coordination of two Dtc ligands to the gold atom) and distorted tetrahedral [TlCl4]–anions. In supramolecular self-organization, the decisive role is played by relatively weak secondary interactions Au⋯S and Au⋯Cl. With the use of simultaneous thermal analysis, the thermal behavior of I and II have been studied, which enabled the elucidation of temperature-induced transformations and identification of TlCl and reduced gold among the thermolysis products.

  • 240.
    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)
  • 241.
    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)
  • 242.
    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.

  • 243.
    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)
  • 244.
    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)
  • 245.
    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)
  • 246.
    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.

  • 247.
    Ivanov, Alexander V.
    et al.
    Institute of Geology and Nature Management, Far Eastern Branch of the Russian Academy of Sciences .
    Gerasimenko, A.V.
    Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences.
    Egorova, I.V.
    Blagoveshchensk State Pedagogical University.
    Zaeva, A.S.
    Institute of Geology and Nature Management, Far East Branch, Russian Academy of Sciences.
    Novikova, E.V.
    Institute of Geology and Nature Management, Far East Branch, Russian Academy of Sciences.
    Rodionova, N.A.
    Blagoveshchensk State Pedagogical University.
    Gowda, V.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. University of Oulu.
    Antzutkin, O.N.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Warwick University.
    Chemisorption Synthesis of the Ion-Polymeric Heteronuclear Gold(III)-Bismuth(III) Complex ([Au{S2CN(C3H7)2}2]3[Bi2Cl9])n Based on [Bi2{S2CN(C3H7)2}6]: 13C MAS NMR, Supramolecular Structure, and Thermal Behavior2018In: Russian journal of coordination chemistry, ISSN 1070-3284, E-ISSN 1608-3318, Vol. 44, no 8, p. 518-531Article in journal (Refereed)
    Abstract [en]

    Chemisorption synthesis on the basis of the binuclear compound [Bi2{S2CN(C3H7)2}6] (I) and preparative isolation of the ion-polymeric heteronuclear gold(III)-bismuth(III) complex ([Au{S2CN(C3H7)2}2]3[Bi2Cl9])n (II) are carried out. Compounds I and II are characterized in comparison by IR spectroscopy and 13C CP-MAS NMR. According to the X-ray diffraction analysis data (CIF file CCDC no. 1407705), the cationic moiety of compound II exhibits an unusually complicated supramolecular structure including six isomeric noncentrosymmetric complex cations [Au{S2CN(C3H7)2}2]+ (hereinafter A-F) and two binuclear anions [Bi2Cl9]3- as conformers. The isomeric gold(III) cations perform various structural functions. Owing to pair secondary interactions Au···S, cations B, C, E, and F form centrosymmetric ([E···E], [F···F]) and noncentrosymmetric ([B···C]) binuclear aggregates [Au2{S2CN(C3H7)2}4]2+, whereas cations A and D are not involved in dimerization. The strongest secondary Au···S bonds are formed between the binuclear and mononuclear cations, resulting in the formation of supramolecular cation-cationic polymer chains of two types: (⋅⋅⋅A⋅⋅⋅[B⋅⋅⋅C]⋅⋅⋅A⋅⋅⋅[B⋅⋅⋅C]⋅⋅⋅)n and (D⋅⋅⋅[E⋅⋅⋅E]⋅⋅⋅D⋅⋅⋅[F⋅⋅⋅F]⋅⋅⋅])n. In both chains, the gold atoms of the binuclear cations are characterized by a distorted octahedral coordination [S6], whereas in the mononuclear cations the gold atoms retain the square environment [S4]. The cation-anionic interactions are provided by secondary bonds Cl⋅⋅⋅S involving the terminal chlorine atoms of isomeric [Bi2Cl9]3- and the sulfur atoms of the binuclear cations [Au2{S2CN(C3H7)2}4]2+. The character of the thermal behavior of compounds I and II is studied by simultaneous thermal analysis with the identification of intermediate and final products of the thermal transformations. The thermolysis of compound I at 193-320°C is accompanied by the formation of Bi2S3 with an impurity of reduced metallic bismuth particles. The final products of the thermal transformations of compound II are reduced elemental gold and Bi2O3, and the thermal transformation intermediates are BiCl3 and Bi2S3.

  • 248.
    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)
  • 249.
    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.

  • 250.
    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.

2345678 201 - 250 of 592
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