Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives

Zhao, Jinfeng; Chen, Junsheng; Liu, Jianyong; R. Hoffmann, Mark

doi:10.1039/c4cp05651e

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Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives

Shared by NobleBlocks on Jan 1, 2015 • 12:00 AM UTC

Authors:

Jinfeng Zhao

Junsheng Chen

Jianyong Liu

Abstract

The excited state intramolecular proton transfer (ESIPT) mechanism of HBO, BBHQ and DHBO have been investigated using time-dependent density functional theory (TDDFT).

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