Chem. J. Chinese Universities ›› 1993, Vol. 14 ›› Issue (4): 527.

• Articles • Previous Articles     Next Articles

A Theoretical Study of Excited-State Proton Transfer Reaction of Salicylic Acid and Its Solvent Effect

FENG Ji-Kang1, TENG Qi-Wen1, XU Wen-Guo1, LI Zhi-Ru1, SUN Chia-Chung2   

  1. 1. Department of Chemistry, Jilin University, Changgchm, 130023;
    2. Institute of Thevretical Chemistry, Jilin University, Changchun
  • Received:1992-03-08 Revised:1992-12-18 Online:1993-04-24 Published:1993-04-24

Abstract: With AM1 and INDO/CImethods, a theoretical study of proton transfer reaction for salicylic acid in excited state has been completed.The potential energy curve, barrier, transition state have been obtained.The absorption and fluorescence spectra of related compounds are assigned theoretically.All calculated results are in agreement with experiments.Then the mechanism of photochemical reaction and the possibility of applications are discussed.Finally, the effect of solvent, taking diethyl ether as the example of hydrogen-bonding solvent on the excited-state proton transfer reaction of salicylic acid has been investigated.

Key words: Salicylic acid, Excited-state proton transfer reaction, Solvent effect

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