Conformational isomerism of the binuclear N,N-pentamethylenedithiocarbamate cadmium(II) complex, [Cd2{S2CN(CH2)5}4] on multinuclear (N, Cd) CP/MAS NMR and single-crystal X-ray diffraction data |
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Authors: | Alexander V. Ivanov Andrey V. Gerasimenko Oleg N. Antzutkin |
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Affiliation: | a Institute of Geology and Nature Management, Far Eastern Branch of the Russian Academy of Sciences, 675000, Blagoveschensk, Amur Region, Russia b Division of Chemistry, Luleå University of Technology, S-97187 Luleå, Sweden c Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences, Vladivostok 690022, Russia |
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Abstract: | 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. |
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Keywords: | 15N, 113Cd CP/MAS NMR spectroscopy 113Cd chemical shift anisotropy Binuclear N,N-dialkyldithiocarbamate cadmium(II) complexes Molecular structures Inorganic eight-membered rings |
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