Multicentre interaction in 12-nuclear rhenium carbon-centered chalcocyanide clusters

被引：1
|
作者：
Kozlova, S. G. [1 ]
Gabuda, S. P. [1 ]
Fedorov, V. E. [1 ]
Naumov, N. G. [1 ]
Mironov, Yu. V. [1 ]
机构：
[1] Russian Acad Sci, AV Nikolaev Inst Inorgan Chem, Siberian Div, Novosibirsk, Russia
来源：
JOURNAL OF STRUCTURAL CHEMISTRY | 2011年 / 52卷 / 04期
关键词：
intramolecular interactions; 12-nuclear rhenium cluster complexes; quantum chemical method AIM; APPROXIMATION; ENERGY;
D O I：
10.1134/S002247661104024X
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
A topological method of quantum chemistry (AIM) is used to study the contact area of a triangular bridging group {CS(3)} in 12-nuclear cluster fragments of {Re(12)CS(17)}. It is shown that in the region under consideration the intramolecular interaction is characterized by a ring critical point (rcp), and its parameters depend on the oxidation state and explain the unusual structural changes in cluster complexes in redox transformations: [Re(12)CS(17)(CN)(6)](8-) a dagger" [Re(12)CS(17)(CN)(6)](6-).
引用
收藏
页码：806 / 808
页数：3
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