Coordination Chemistry and QTAIM Analysis of Homoleptic Dithiocarbamate Complexes, M(SCNPr) (M = Ti, Zr, Hf, Th, U, Np).
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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
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| Authors | Behrle, Andrew C;Myers, Alexander J;Kerridge, Andrew;Walensky, Justin R; |
| Journal | Inorganic chemistry |
| Year | 2018 |
| DOI |
10.1021/acs.inorgchem.8b00077
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