Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives-Reference-Cited by-同舟云学术

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

Published:2015 Issue:18 Volume:17 Page:11990-11999
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhao Jinfeng¹²³⁴⁵,Chen Junsheng¹²³⁴⁵,Liu Jianyong¹²³⁴⁵,Hoffmann Mark R.⁶⁷⁸⁹

Affiliation:

1. State Key Laboratory of Molecular Reaction Dynamics

2. Dalian Institute of Chemical Physics

3. Chinese Academy of Sciences

4. Dalian

5. China

6. Department of Chemistry

7. University of North Dakota

8. Grand Forks

9. USA

Abstract

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

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP05651E

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