Chem. J. Chinese Universities ›› 1994, Vol. 15 ›› Issue (1): 75.

• Articles • Previous Articles     Next Articles

The Electronic Structures and Spectra of Phthalocyanine and Copper Phthalocyanine

LI Jun1, FENG Ji-Kang1, LI Zhi-Ru1, SUN Jia-Zhong2   

  1. 1. Dept.of Chem., Jilin Univ., Changchun, 130023;
    2. Inst.of Theor. Chem. Jilin Univ.
  • Received:1993-01-03 Revised:1993-08-11 Online:1994-01-24 Published:1994-01-24

Abstract: The electronic structures and UV-Vis spectra of phthalocyanine(H2Pc) and copper phthalocyanine(CuPc) were studied by using INDO/CImethod.The shred hydrogen model has been used for H2Pc.The single electron located at the 11b1g(dx2-y2)MO for CuPc.From CuPc to H2Pc,as the D4h symmetry of molecule CuPc lowered to D2h of H2Pc,the lines of spectra splitted.The calculated results are consistent with the observed results.

Key words: Phthalocyanine, Copper phthalocyanine, UV-Vis spectra

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