Vibrational and electronic contributions to entropy changes for oxidation-reduction reactions of metal complexes
Vibrational and electronic contributions to entropy changes for oxidation-reduction reactions of metal complexes
复制标题
振动和电子对金属配合物氧化还原反应熵变的贡献
DOI：
10.1021/ic00061a043
复制
发表时间：
1993
影响因子：
4.6
通讯作者：
P. Sharpe
中科院分区：
文献类型：
--
作者：
D. Richardson;P. Sharpe
根据结构和光谱数据估算了几种气相ML-4和ML-6中性和离子过渡金属络合物的熵。结果表明，由于低频骨架模的作用，振动熵提供了这类络合物总熵的很大一部分(在本文分析的情况下，最高可达42%)。还估算了一些相关氧化还原对的振动和电子熵变化对反应熵的贡献。
Entropies for several gas-phase ML 4 and ML 6 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.