Electronic spectroscopy and photoreactivity in transition metal complexes

被引:82
作者
Daniel, C [1 ]
机构
[1] Univ Strasbourg, CNRS, UMR 7551, Lab Chim Quant, F-67000 Strasbourg, France
关键词
electronic spectroscopy; photoreactivity; transition metal complexes; quantum chemistry; wavepacket dynamics;
D O I
10.1016/S0010-8545(02)00295-3
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The recent developments in quantum chemistry providing the theoretical tools to determine the properties of transition metal complexes in their electronic excited states are presented. The contrast between the impressive fast evolution of the computational strategies adapted to the treatment of ground state molecular properties and the gradual improvement of the methods that are more specifically turned towards the study of electronic excited states is discussed. Recent applications in transition metal coordination chemistry are selected to outline the degree of methodological maturity in electronic spectroscopy and photo-induced reactivity, illustrating the necessity for a strong interplay between theory and experiment. (C) 2002 Published by Elsevier Science B.V.
引用
收藏
页码:143 / 166
页数:24
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