Studies on Structure and Properties of Organic Reagents(Ⅹ)——Study of Structure and Absorption Spectrum of Azobenzene Derivatives

Chem. J. Chinese Universities ›› 1992, Vol. 13 ›› Issue (10): 1237.

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Studies on Structure and Properties of Organic Reagents(Ⅹ)——Study of Structure and Absorption Spectrum of Azobenzene Derivatives

TONG Shen-Yang, ZENG Wei

Department of Chemistry, Peking University, Beijing, 100871

Received:1991-10-19 Revised:1992-01-15 Online:1992-10-24 Published:1992-10-24

Abstract

Abstract: In order to study the relationship among absorption spectra of organic reagents,the calculation of π-electronic excitation energies of azobenzene derivatives has been carried out by means of PPP-SCF-CI method.The intramolecular charge-transfer character of the first π-π transition was found,Agood agreement was obtained between the observed and calculated values for the first π-π excitation.The effect of substituents on the absorption spectrum was studied on the basis of these calculated results.

Key words: PPP method, Organic reagents, Absorption spectrum

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TONG Shen-Yang, ZENG Wei . Studies on Structure and Properties of Organic Reagents(Ⅹ)——Study of Structure and Absorption Spectrum of Azobenzene Derivatives[J]. Chem. J. Chinese Universities, 1992, 13(10): 1237.

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Studies on Structure and Properties of Organic Reagents(Ⅹ)——Study of Structure and Absorption Spectrum of Azobenzene Derivatives

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