Coordination Chemistry and QTAIM Analysis of Homoleptic Dithiocarbamate Complexes, M(S2CNiPr2)4 (M = Ti, Zr, Hf, Th, U, Np)

In a systematic approach to comparing the molecular structure and bonding in homoleptic transition-metal and actinide complexes, a series of dithiocarbamates, M­(S2CNiPr2)4 (M = Ti, Zr, Hf, Th, U, Np), have been synthesized. These complexes have been characterized through spectroscopic and X-ray cry...

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Bibliographic Details
Published in:Inorganic chemistry 2018-09, Vol.57 (17), p.10518-10524
Main Authors: Behrle, Andrew C, Myers, Alexander J, Kerridge, Andrew, Walensky, Justin R
Format: Article
Language:English
Subjects:
Chemistry
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Summary:In a systematic approach to comparing the molecular structure and bonding in homoleptic transition-metal and actinide complexes, a series of dithiocarbamates, M­(S2CNiPr2)4 (M = Ti, Zr, Hf, Th, U, Np), have been synthesized. These complexes have been characterized through spectroscopic and X-ray crystallographic analysis, and their bonding has been examined using density functional theory calculations. Computational results indicate that the covalent character associated with the M–S bonds shows the trend of Hf < Zr < Th < Ti < U ≈ Np.
ISSN:0020-1669
1520-510X
DOI:10.1021/acs.inorgchem.8b00077