Molecular structure and isomerization in square-planar edge-sharing dinuclear complexes with alkynyl bridges

被引:19
作者
Aullón, G
Alvarez, S
机构
[1] Univ Barcelona, Dept Quim Inorgan, E-08028 Barcelona, Spain
[2] Univ Barcelona, Ctr Recerca Quim Teor, E-08028 Barcelona, Spain
关键词
D O I
10.1021/om0110181
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The dinuclear transition-metal complexes of the type [M-2(mu-Cequivalent toCR)(2)L-4], in which each metal atom is in a square-planar environment, appear in different molecular conformations depending on (a) the coordination mode of the alkynyl ligands and (b) the angle between the coordination planes around the two metal atoms. An ab initio theoretical study on representative complexes for all isomers, complemented with a structural database analysis, provides a rationale for the experimentally observed structures.
引用
收藏
页码:2627 / 2634
页数:8
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