Evidence for metal to solvent charge transfer photooxidation of iron, cobalt, nickel and copper dithiocarbamato derivatives in poly(vinylchloride) matrices at ca. 90 K: New insights into the bonding of late transition metals with dithiocarbamate ligands through DFT modeling
Evidence for metal to solvent charge transfer photooxidation of iron, cobalt, nickel and copper dithiocarbamato derivatives in poly(vinylchloride) matrices at ca. 90 K: New insights into the bonding of late transition metals with dithiocarbamate ligands through DFT modeling
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DOI：
10.1016/j.ica.2007.08.017
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发表时间：
2008-04-01
影响因子：
2.8
通讯作者：
Bitterwolf, Thomas E.
中科院分区：
文献类型：
--
作者：
Bitterwolf, Thomas E.
FeL_3、CoL_3、NiL_2、CuL_2和ZnL_2（L = S_2CNEt_2）在PVC基质中的光分解。90 K的结果在光氧化的金属配合物通过不可逆的金属溶剂电荷转移。DFT量子力学研究的S2CNMe2阴离子和镍，铜和锌的衍生物进行了，提供了一个更细致入微的理解的二硫代氨基甲酸酯配体的键合比建议的经典共振参数。(C)2007 Elsevier B.V.保留所有权利。
Photolysis of FeL3, CoL3, NiL2, CuL2 and ZnL2, where L = S2CNEt2, in PVC matrices at ca. 90 K results in photooxidation of the metal complexes through irreversible metal to solvent charge transfer. DFT quantum mechanical studies of the S2CNMe2 anion and the Ni, Cu and Zn derivatives were carried out, providing a more nuanced understanding of the bonding of the dithiocarbamate ligand than suggested by classical resonance arguments. (C) 2007 Elsevier B.V. All rights reserved.