Intramolecular charge transfer and electronic absorption and luminescence spectra of fluoroquinolinones

被引：1
|
作者：
Polishchuk, A. V. [1 ]
Emelina, T. B. [1 ]
Karaseva, E. T. [1 ]
Karasev, V. E. [1 ]
机构：
[1] Russian Acad Sci, Inst Chem, Far E Branch, Vladivostok 690022, Russia
来源：
RUSSIAN JOURNAL OF GENERAL CHEMISTRY | 2011年 / 81卷 / 04期
基金：
俄罗斯基础研究基金会;
关键词：
PHOTOPHYSICAL PROPERTIES;
D O I：
10.1134/S1070363211040189
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
TD-DFT study on the effect of donor and acceptor substituents on molecular orbital localization and charge distribution in fluoroquinolinone molecules showed that their photoexcitation is accompanied by electron density redistribution over particular fragments. Depending on the protolytic form, frontier molecular orbitals are localized on different fragments, whereas variation of substituents weakly affects localization of these orbitals.
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页码：725 / 731
页数：7
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