Chem. J. Chinese Universities ›› 2000, Vol. 21 ›› Issue (9): 1455.

• Articles • Previous Articles     Next Articles

Studies on Charge Transfer of Polyimide Rings

BAI Xu-Duo1, ZHANG Zhi-Qian1, FENG Ji-Kang2, XIE Gang3, CHEN Jiu-Shun3   

  1. 1. Applied Chemistry Depa rtment, Harbin Instituteof Technology, Harbin 150006, China;
    2. State Key Lab.of Theoretical Chemical Calculation, Jilin University, Changchun 130023, China;
    3. Department of Chemistry, Heilongjiang University, Harbin 150080, China
  • Received:2000-02-22 Online:2000-09-24 Published:2000-09-24

Abstract: Charge distributions, dipole monents and transition energies for model compounds of polyimide structure units in ground state and excited state were studied by ab initio calculation. Fluorescence spectra of polyimides were determined and differences of forming charge-transfer complex between two polyimides in excited state were explored. The results showed that large charge transfer occurred on the imide rings consisting of 1,4-diaminobenzene and 4,4′-diaminotriphenylamine in ground state but further charge transfer occurred on the imide ring consisting of 4,4′-diaminotriphenylamine in excited state .

Key words: Polyimide, Ab initio, Charge distribution, Dipole moment, Charge-transfer complex

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