Excited-state intramolecular proton transfer in anthralin. Quantum chemical calculations and fluorescence spectra

被引:25
作者
Moller, S
Andersen, KB
Spanget-Larsen, J
Waluk, J
机构
[1] Roskilde Univ Ctr, Univ Lib, DK-4000 Roskilde, Denmark
[2] Roskilde Univ Ctr, Dept Chem & Life Sci, DK-4000 Roskilde, Denmark
[3] Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland
关键词
D O I
10.1016/S0009-2614(98)00546-6
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
Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results in an unusually large fluorescence Stokes shift of 10500 cm(-1). The emission appears as a broad band with a maximum at 17500 cm(-1) and is characterized by a low and nearly temperature-independent quantum yield, The results are interpreted as an indication of a large equilibrium geometry change upon excitation, associated with an excited-state intramolecular proton transfer process. (C) 1998 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:51 / 56
页数:6
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