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

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ID: 95435
2018
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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(SCNPr) (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.
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behrle2018coordinationinorganic Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Behrle, Andrew C;Myers, Alexander J;Kerridge, Andrew;Walensky, Justin R;
Journal Inorganic chemistry
Year 2018
DOI
10.1021/acs.inorgchem.8b00077
URL
Keywords
antibiotic resistance antibacterial activity meropenem dithiocarbamates metallo-β-lactamase inhibitors

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