| 脲盐的电子结构及其与光谱和能谱的关系 |
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| 引用本文： | 肖慎修,陈天朗.脲盐的电子结构及其与光谱和能谱的关系[J].高等学校化学学报,1996,17(1):112-116. |
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| 作者姓名： | 肖慎修 陈天朗 |
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| 作者单位： | 四川成都联合大学化学系 |
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| 基金项目： | 国家“八·五”攻关项目 |
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| 摘 要： | 对脲盐的振动和电子光谱及Ｘ光电子能谱进行研究，并用电荷自洽场ＤＶ－Ｘα方法计算其电子结构，确定脲盐正离子ＣＯ（ＮＨ２）２Ｈ＾＋的结构特征，分析其结构变化与光谱和能谱现象的内在联系，并由此提出了形成配合物的反应机理。
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| 关 键 词： | 振动光谱 紫外光谱 X光电子能谱 脲盐 |
The Electronic Structure of Uronium Salts and Its Relationship to Their Spectrum and Binding Energy |
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| XIAO Shen-Xiu,CHEN Tian-Lang,LI Ping,LI Li.The Electronic Structure of Uronium Salts and Its Relationship to Their Spectrum and Binding Energy[J].Chemical Research In Chinese Universities,1996,17(1):112-116. |
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| Authors: | XIAO Shen-Xiu CHEN Tian-Lang LI Ping LI Li |
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| Abstract: | By researching vibrational,ultraviolet adsorption bands and XPS binding energy,and calculating electronic structure with self-consistent-charge DV-Xa method,the structural characteristics of uronium ion CO(NH_2)_2H+ had been obtained and the relationship be-tween structural variation and IR,UV adsorption bands had been analyzed.Therefore,thereactive mechanism of coordination covalent bond formation is to he raised. |
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| Keywords: | Vibrational spectrum Ultraviolet spectrum X-ray photoelectron spectroscopy Uronium salts DV-Xa method |
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