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.