The Structure and Excited State Proton Transfer Process of 9-Hydroxyphenalenone

Abstract

Abstract: Using INDO series methods, the structure and excited state proton transfer process of 9-hydroxyphenalenone have been studied, and the potential energy surfaces of ground state and excited states, barriers, transition states have been gotten. The mechanism of reaction and the possibility of applications have been discussed too.The stable structure of 9-hydroxyphenalenone should be C₈, structure. The fluorescence spectra correspond S₂→S₀From the characters of ground state and excited state barriers, we think it hopeful to use this molecule and its derivatives for molecular electronic devices.

Key words: 9-Hydroxyphenalenone, Excited state proton transfer, Potential energy surface

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Feng Ji-kang, Liu Tian-hua, Li Zhi-ru . The Structure and Excited State Proton Transfer Process of 9-Hydroxyphenalenone[J]. Chem. J. Chinese Universities, 1991, 12(4): 494.

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The Structure and Excited State Proton Transfer Process of 9-Hydroxyphenalenone

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