The effects of the heteroatom and position on excited-state intramolecular proton transfer of new hydroxyphenyl benzoxazole derivatives: a time-dependent density functional theory study
Author:
Affiliation:
1. School of Electrical Engineering
2. University of South China
3. Hengyang 421001
4. China
5. State Key Lab of Molecular Reaction Dynamics
6. Institute of Molecular Sciences and Engineering
7. Shandong University
8. Qingdao 266235
9. P. R. China
Abstract
The effects of the heteroatom and position on excited-state intramolecular proton transfer (ESIPT) of 2-[4′-(N-4,6-dichloro-1,3,5-triazi-n-2-yl)2′hydroxyphenyl]benzoxazole (4THBO) have been investigated via time-dependent density functional theory studies.
Funder
National Natural Science Foundation of China
Natural Science Foundation of Hunan Province
Publisher
Royal Society of Chemistry (RSC)
Subject
Organic Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2019/QO/C9QO00295B
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