The Electronic Structure of Uronium Salts and Its Relationship to Their Spectrum and Binding Energy

Chem. J. Chinese Universities ›› 1996, Vol. 17 ›› Issue (1): 112.

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The Electronic Structure of Uronium Salts and Its Relationship to Their Spectrum and Binding Energy

XIAO Shen-Xiu, CHEN Tian-Lang, LI Ping, LI Li

Department of Chemistry, Sichuan Union University, Chengdu 610064

Received:1995-01-13 Online:1996-01-24 Published:1996-01-24

Abstract

Abstract: By researching vibrational,ultraviolet adsorption bands and XPSbinding energy,and calculating electronic structure with self-consistent-charge DV-Xa method,the structural characteristics of uronium ion CO(NH₂)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.

Key words: Vibrational spectrum, Ultraviolet spectrum, X-ray photoelectron spectroscopy, Uronium salts, DV-Xa method

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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]. Chem. J. Chinese Universities, 1996, 17(1): 112.

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The Electronic Structure of Uronium Salts and Its Relationship to Their Spectrum and Binding Energy

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