VIBRATIONAL AND ELECTRONIC CONTRIBUTIONS TO ENTROPY CHANGES FOR OXIDATION-REDUCTION REACTIONS OF METAL-COMPLEXES

被引:37
作者
RICHARDSON, DE
SHARPE, P
机构
[1] Department of Chemistry, University of Florida, Gainesville
关键词
D O I
10.1021/ic00061a043
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Entropies for several gas-phase ML4 and ML6 neutral and ionic transition-metal complexes are estimated from structural and spectroscopic data. It is demonstrated that vibrational entropies provide a substantial portion (up to 42% in the cases analyzed here) of the total entropy for such complexes as a result of low-frequency skeletal modes. The contributions of vibrational and electronic entropy changes to reaction entropies for a number of related redox couples are also estimated.
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页码:1809 / 1812
页数:4
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