An experimental and computational study on intramolecular charge transfer: A tetrathiafulvalene-fused dipyridophenazine molecule
An experimental and computational study on intramolecular charge transfer: A tetrathiafulvalene-fused dipyridophenazine molecule
复制标题
分子内电荷转移的实验和计算研究：四硫富瓦烯稠合的二吡啶吩嗪分子
DOI：
10.1002/chem.200601561
复制
发表时间：
2007-01-01
影响因子：
4.3
通讯作者：
Decurtins, Silvio
中科院分区：
文献类型：
--
作者：
Jia, Chunyang;Liu, Shi-Xia;Decurtins, Silvio
为了研究供体-受体(D-A)系综中的电子相互作用，将D和A片段偶联在单个分子中。具体地说，合成了一种具有固有氧化还原中心的四硫富瓦烯(TTF)-稠联吡啶[3，2-a：2‘，3’-c]吩嗪(Dppz)化合物，并对其结构进行了表征。研究了它的电子吸收、荧光发射、光致分子内电荷转移和电化学行为。用密度泛函理论解释了观察到的电子性质。
To study the electronic interactions in donor-acceptor (D-A) ensembles, D and A fragments are coupled in a single molecule. Specifically, a tetrathiafulvalene (TTF)-fused dipyrido[3,2-a:2',3'-c]phenazine (dppz) compound having inherent redox centers has been synthesized and structurally characterized. Its electronic absorption, fluorescence emission, photoinduced intramolecular charge transfer, and electrochemical behavior have been investigated. The observed electronic properties are explained on the basis of density functional theory.