INVESTIGATION OF THE LOWEST EXCITED TRIPLET-STATES OF 2-(2'-HYDROXYPHENYL)BENZOTHIAZOLE AND 2-(2'-HYDROXYPHENYL)BENZOXAZOLE BY TIME-RESOLVED ELECTRON-PARAMAGNETIC RESONANCE AND MOLECULAR-ORBITAL CALCULATIONS

被引：30

作者：

NAGAOKA, S ^{[1
]}

ITOH, A ^{[1
]}

MUKAI, K ^{[1
]}

HOSHIMOTO, E ^{[1
]}

HIROTA, N ^{[1
]}

机构：

[1] KYOTO UNIV,FAC SCI,DEPT CHEM,KYOTO 606,JAPAN

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 192卷 / 5-6期

关键词：

D O I：

10.1016/0009-2614(92)85511-8

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：

Properties of the lowest excited triplet (T1) states of 2-(2'-hydroxyphenyl)benzothiazole (HBT) and 2-(2'-hydroxyphenyl)benzoxazole (HBO) have been investigated by means of time-resolved EPR and MO calculations. When the volume fraction of ethanol in a mixed solvent of toluene and ethanol is small, the proton-transfer-red keto tautomer of HBT predominates over the enol tautomer in the T1 state. As the volume fraction of ethanol increases, the relative composition is reversed. The main species in the T1 state of HBO is a proton-transferred keto tautomer in both of non-polar and alcoholic solvents.

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页码：532 / 537

页数：6

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