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Structural organization of cadmium(II) and copper(II) dithiocarbamate complexes with dialkyl-substituted and cyclic ligands: Synthesis, single-crystal X-ray diffraction, EPR, and CP/MAS13C, 15N, and 113Cd NMR
Russian Adademy of Sciences.
Russian Adademy of Sciences.
Russian Adademy of Sciences.
Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.ORCID iD: 0000-0003-1067-7990
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2005 (English)In: Russian Journal of Inorganic Chemistry, ISSN 0036-0236, E-ISSN 1531-8613, Vol. 50, no 11, p. 1710-1726Article in journal (Refereed) Published
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{S 2CN(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.

Place, publisher, year, edition, pages
2005. Vol. 50, no 11, p. 1710-1726
National Category
Physical Chemistry
Research subject
Chemistry of Interfaces
Identifiers
URN: urn:nbn:se:ltu:diva-5601Local ID: 3be153a0-bb42-11db-b560-000ea68e967bOAI: oai:DiVA.org:ltu-5601DiVA, id: diva2:978475
Note
Validerad; 2005; 20070213 (bajo)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2017-11-24Bibliographically approved

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Antzutkin, OlegForsling, Willis

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