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

Behrle, Andrew and Myers, A and Rungthanaphatsophon, Pokpong and Kerridge, Andrew and Walensky, Justin (2018) Coordination Chemistry and QTAIM Analysis of Homoleptic Dithiocarbamate Complexes, M(S2CNiPr2)4, M = Ti, Zr, Hf, Th, U, Np. Inorganic Chemistry, 57 (17). pp. 10518-10524. ISSN 0020-1669

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Abstract

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 associatedSave with the M-S bonds shows the trend of Hf < Zr < Th < Ti < U ≈ Np. © 2018 American Chemical Society.

Item Type:
Journal Article
Journal or Publication Title:
Inorganic Chemistry
Additional Information:
This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © 2018 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.inorgchem.8b00077
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/1600/1604
Subjects:
ID Code:
126796
Deposited By:
Deposited On:
08 Aug 2018 15:02
Refereed?:
Yes
Published?:
Published
Last Modified:
05 Dec 2020 05:01