Chem. J. Chinese Universities ›› 1982, Vol. 3 ›› Issue (1): 93.

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THE CALCULATION OF SOME 1,4-BIS [(SUBSTITUTEDPHENYL )-ETHENYL ] BENZENE DERIVATIVES WITH HMO METHOD

Xue Jieyou, Lin Shaofan, Zhang Yufan   

  1. Department of Chemistry, Nankai University, Tianjin
  • Received:1980-12-10 Online:1982-01-25 Published:1982-01-25

Abstract: The charge densities, bond orders, free valences and the energies of n molecular orbitals of some l,4-bis[β-(4-Substituted phenyl) ethenyl] benzene and 1,4-bis [β-( 4-Substituted phenyl ) ethenyl 3-2,5-dimethoxy benzene compounds were calculated with HMOmethod. Arelationship of homologous linearity between the electronic spectra and the energy difference (HOMOand LUMO) is obtained. Besides, it was found that there is a relationship of homologous linearity between the electronic spectra and the absolute values of Hammett' sσp.

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