A theoretical, spectroscopic, and photophysical study of 2, 7-carbazolenevinylene-based conjugated derivatives

…, JF Morin, M Leclerc, G Durocher

文献索引：Belletete, Michel; Beaupre, Serge; Bouchard, Jimmy; Blondin, Pierre; Leclerc, Mario; Durocher, Gilles Journal of Physical Chemistry B, 2000 , vol. 104, # 39 p. 9118 - 9125

全文：HTML全文

被引用次数: 84

摘要

A combined theoretical and experimental study of the structure, optical, and photophysical properties of four 2, 7-carbazolenevinylene-based derivatives in solution is presented. Geometry optimizations of the ground states of PCP, PCP-CN, TCT, and TCT-CN were carried out using the density functional theory (DFT/B3LYP/6-31G*). It is found that PCP and TCT are nearly planar in their ground electronic states (S0), whereas the cyano ...