Chem. J. Chinese Universities ›› 1981, Vol. 2 ›› Issue (4): 463.

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RESEARCH ON 2,6-DISUBSTITUTED BENZO-BISOXAZOLES-Ⅱ-THE HMO CALCULATION AND THE SUBSTITUTENT EFFECT ON THE SPECTRA OF 2,6-DIPHENYL-BENZO-BISOXAZOLES AND THEIR PARA-SUBSTITUTED DERIVATIVES

Cai Zunsheng, Lin Shaofan, Zhao Xuezhuang, Kao Chenheng   

  1. Department of Chemistry, Nankai University, Tianjing
  • Received:1980-11-29 Online:1981-12-24 Published:1981-12-24

Abstract: 2,6-Diphenyl benzo-[l,2d;4,5d']-bisoxazoles,2,6-diphenyl benzo-[1,2d; 5,4d']-bisoxazoles,as well as some of their parasubstituted derivatives were treated with HMO method. The relevant π energy levels and molecular diagrams were obtained. The substituent effects on UV absorption spectra and FL emission spectra were analyzed and approached by some quantum chemistry methods on the basis of HMO theory.

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