| 2-(2′-羟基苯基)间氮杂氧茚的旋转异构和质子转移反应 |
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| 引用本文： | 刘天华,封继康,张晓枫,李志儒.2-(2′-羟基苯基)间氮杂氧茚的旋转异构和质子转移反应[J].高等学校化学学报,1991(6). |
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| 作者姓名： | 刘天华 封继康 张晓枫 李志儒 |
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| 作者单位： | 吉林大学化学系，吉林大学化学系，吉林大学化学系，吉林大学化学系 长春 130021，长春 130021，长春 130021，长春 130021 |
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| 摘 要： | 用INDO系列方法对2-(2′-羟基苯基)间氮杂氧茚的旋转异构和质子转移反应进行研究,求得基态和激发态反应的位能面、势垒、过渡态,对有关化合物的吸收和荧光光谱进行了理论指认。计算与实验结果符合较好,并对光化学反应机理和应用前景进行了讨论。
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| 关 键 词： | 2-(2′-羟基苯基)间氮杂氧茚 激发态质子转移反应 旋转异构 |
The Rotational Tautomerization and Proton-transfer Reaction of 2-(2'-Hydroxyphenyl)-benzoxazole |
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| Liu Tian-hua,Feng Ji-kang,Zhang Xiao-feng,Li Zhi-ru.The Rotational Tautomerization and Proton-transfer Reaction of 2-(2''''-Hydroxyphenyl)-benzoxazole[J].Chemical Research In Chinese Universities,1991(6). |
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| Authors: | Liu Tian-hua Feng Ji-kang Zhang Xiao-feng Li Zhi-ru |
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| Abstract: | Using INDO series methods, a theoretical study of rotational tautomerization and protontransfer reaction of 2-(2'-hydroxyphenyl)-benzoxazole have been done. The potential energy surface, barrier, transition state have been obtained, and we assign the absorption and fluorescence spectra of related compounds theoretically. All calculated results are in good agreement with experiments. Then the mechanism of photo-chemical reaction and the possibility of applications are discussed. |
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| Keywords: | 2-(2-Hydroxyphenyl )-benzoxazole Proton-transfer reaction Rotational tautomerization |
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