Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Bejing 100190, People's Republic of China.
Chem Asian J. 2011 Dec 2;6(12):3322-7. doi: 10.1002/asia.201100636. Epub 2011 Sep 6.
The electronic coupling between two amine redox sites bridged through the 5,5'-positions of the [Re(CO)(3)Cl]-chelated 2,2'-bipyridine was studied by the electrochemical, spectroscopic, and EPR analysis. Interestingly, multiple near-infrared bands were observed in this new organic mixed-valent system. The results are interpreted with the aid of DFT and TDDFT calculations.
通过电化学、光谱和 EPR 分析研究了通过 [Re(CO)(3)Cl]-螯合的 2,2'-联吡啶的 5,5'-位桥接的两个胺氧化还原位点之间的电子耦合。有趣的是，在这个新的有机混合价系统中观察到多个近红外带。结果借助 DFT 和 TDDFT 计算进行了解释。
