Ground Structure and Excited State Proton Transfer Reaction of 2-Aminobenzothiazole

doi:10.7503/cjcu20190112

Abstract

Abstract: The ground state structure of 2-aminobenzothiazole(ABT) dimer was studied in solid and different solvents by Fourier transform infrared spectroscopy(FTIR), Raman spectra combined with density functional theory(DFT). Raman spectrum difference between dimer and solvent molecule in different proton solvents was explained by the hydrogen bonding interaction. Electron spectroscopic experiments further revealed the photophysical and photochemical reactions of dimers. Ultraviolet absorption and fluorescence emission spectra showed that the solvent and pH value may control the decay of higher excited states and excited state proton transfer process. Time-dependent density functional theory(TD-DFT) calculations explained the phenomenon of double fluorescence and explored initially the mechanism of double proton transfer in the excited state.

Key words: 2-Aminobenzothiazole, Raman spectroscopy, Fluorescence spectroscopy, Excited state proton transfer(ESPT), Density functional theory(DFT)

CLC Number:

O641

TrendMD:

WEI Xin, DENG Yaoliang, ZHENG Xuming, ZHAO Yanying. Ground Structure and Excited State Proton Transfer Reaction of 2-Aminobenzothiazole[J]. Chem. J. Chinese Universities, 2019, 40(8): 1679.

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