THE EMISSION-SPECTRUM OF P-N,N-DIMETHYLAMINOBENZONITRILE

被引：23
作者：
BROO, A
ZERNER, MC
机构：
[1] Quantum Theory Project, University of Florida, Gainesville
来源：
CHEMICAL PHYSICS LETTERS | 1994年 / 227卷 / 06期
关键词：
D O I：
10.1016/0009-2614(94)00882-5
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A self-consistent reaction field (SCRF) method is used to calculate the absorption and emission spectra of p-N,N-dimethylaminobenzonitrile (DMABN) and 6-cyanobenzquinuclidine (CBQ) in different solvents. The dual fluorescence of DMABN is discussed in terms of internal twisting of the excited state as well as in terms of N-inversion of the dimethylamino group. The results indicate that the N-inversion mechanism cannot explain the dual fluorescence without a twisting of the dimethylamino group.
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页码：551 / 556
页数：6
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