A Theoretical Study of Structures and Electronic Spectra of C28X4(X=H,Cl)and CX4(X=H,Cl)

Chem. J. Chinese Universities ›› 1995, Vol. 16 ›› Issue (8): 1265.

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A Theoretical Study of Structures and Electronic Spectra of C₂₈X₄(X=H,Cl)and CX₄(X=H,Cl)

FENG Ji-Kang¹, TIAN ei-Quan¹, TENG Qi-wen², SUN Jia-Zhong²

1. Department of Chemistry, Jilin University, Changchun, 130023;
2. Institute of Theoretical Chemistry, Jilin University, Changchun, 130023

Received:1994-09-27 Revised:1995-01-18 Online:1995-08-24 Published:1995-08-24

Abstract

Abstract: The geometry optimization of C₂₈X₄(X=H,Cl)and CX₄(X=H,Cl)has been performed by using INDO series methods and the Td symmetry structure has been obtained. There are four kinds of bonds and four kinds of different atoms for C₂₈X₄.The ground states of C₂₈X₄are stable closed-shell molecules.On the basis of these geomitries,the electronic spectra of the ablve molecules have been calculated.The electronic spectra of C₂₈X₄are predicted theoretically.

Key words: C₂₈H₄, C₂₈Cl₄, Structures, Electronic spectra

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FENG Ji-Kang, TIAN ei-Quan, TENG Qi-wen, SUN Jia-Zhong. A Theoretical Study of Structures and Electronic Spectra of C₂₈X₄(X=H,Cl)and CX₄(X=H,Cl)[J]. Chem. J. Chinese Universities, 1995, 16(8): 1265.

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A Theoretical Study of Structures and Electronic Spectra of C₂₈X₄(X=H,Cl)and CX₄(X=H,Cl)

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