Structure-property relationships in conjugated donor-acceptor molecules based on cyanoanthracene: Computational and experimental studies

被引:50
作者
Lin, JH [1 ]
Elangovan, A [1 ]
Ho, TI [1 ]
机构
[1] Natl Taiwan Univ, Dept Chem, Taipei 106, Taiwan
关键词
D O I
10.1021/jo051183g
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
Two series of pi-conjugated bipolar compounds, namely, 9-phenyl-10-anthronitriles (PAN series) and 9-phenylethynyl-10-anthronitriles (PEAN series), having inherent redox centers have been synthesized and their electronic absorption, fluorescence emission, and electrochemical behavior have been studied. Electrochemiluminescence of these molecules bearing weak, strong, and spin-polarized donors is also studied. The observed electronic properties are explained with the help of results obtained from density functional theory (DFT-B3LYP/6-31G*) calculations. The structure-property relationships of all the molecules are discussed.
引用
收藏
页码:7397 / 7407
页数:11
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