| 苯甲酰苯胺激发态质子转移反应的理论研究I. 酰胺、亚胺酸的顺、反异构和二聚 |
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| 引用本文： | 封继康,刘天华,汤国庆,李志儒. 苯甲酰苯胺激发态质子转移反应的理论研究I. 酰胺、亚胺酸的顺、反异构和二聚[J]. 化学学报, 1991, 49(2): 142-150 |
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| 作者姓名： | 封继康 刘天华 汤国庆 李志儒 |
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| 作者单位： | 吉林大学化学系 |
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| 摘 要： | 用INDO系列方法研究了苯甲酰苯胺和N-苯基苯甲亚胺酸的顺反异构和二聚, 从理论上计算了一系列有关化合物UV谱, 与实验结果均符合得很好, 对这一系列化合物的稳定性和光谱变化, 从微观角度进行了合理的解释。
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| 关 键 词： | 稳定性 苯甲酰胺 P 二聚体 质子传递 激发态 异构化反应 微分重叠间忽略近似 苯甲亚胺酸 P 紫外光电子谱法 |
A theoretical study of proton-transfer reaction of benzanilide 1. The cis, trans tautomerization and dimerization of amide and imidic acid |
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| Abstract: | Using INDO series methods, the cis-trans tautomerization and dimerization of benzanilide and N-phenylbenzimidic acid were studied and the UV spectra of a series of related compounds were calculated The results are in good agreement with observed data. Finally, reasonable explanations are given for the stability and spectra of these compounds at a microstructural level. |
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| Keywords: | STABILITY BENZAMIDE P DIMER PROTON TRANSFER EXCITED STATE ISOMERIZATION REACTION INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP APPROXIMATION (IND BENZENECARBOXIMIDIC ACID P |
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