Quantum chemical modeling of ligand substitution in square-planar palladium aqua chloride complexes

被引：0
|
作者：
V. V. Egorova
A. V. Krylov
V. R. Flid
N. I. Tigina
机构：
[1] M. V. Lomonosov Moscow State University of Fine Chemical Technologies,
来源：
Russian Chemical Bulletin | 2012年 / 61卷
关键词：
square-planar palladium complexes; counterion; solvation; density functional theory;
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学科分类号：
摘要：
The mechanism of ligand exchange in the coordination sphere of palladium in the presence of solvated counterions was studied by quantum chemical modeling. The thermodynamics of the process is considerably affected by the charge state of the complex ion and destruction and solvate shell formation processes of both the starting and formed ions.
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页码：1845 / 1849
页数：4
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