Photoisomerization mechanisms from trans, trans-1,4-diphenyl-1,3-butadiene: CASSCF on-the-fly trajectory surface hopping dynamic simulations-Reference-Cited by-同舟云学术

Photoisomerization mechanisms from trans, trans-1,4-diphenyl-1,3-butadiene: CASSCF on-the-fly trajectory surface hopping dynamic simulations

Published:2016 Issue:13 Volume:18 Page:8971-8979
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zheng Xiaolei¹²³⁴⁵,Zhai Gaohong¹²³⁴⁵,Gao Wanqing¹²³⁴⁵,Lei Yibo¹²³⁴⁵,Yu Le¹²³⁴⁵,Zhu Chaoyuan⁶⁷⁸⁹¹⁰

Affiliation:

1. Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education

2. College of Chemistry & Materials Science and Shaanxi key Laboratory of Physico-Inorganic Chemistry

3. Northwest University

4. Xi’an 710069

5. P. R. China

6. Institute of Molecular Science

7. Department of Applied Chemistry

8. and Center for Interdisciplinary Molecular Science

9. National Chiao-tung University

10. Hsinchu 300

Abstract

Photoisomerization mechanisms including two reactive pathways, one bond twist (OBT) and bicycle pedal (BP), and two non-reactive pathways, single bond torsion (SBT) and reverse torsion (RT).

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP00514D

Reference26 articles.

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3. Unusual case of selectivity in a photochemical reaction. Photoisomerization of unsymmetrical 1,3-dienes

4. Viscosity dependence of fluorescence quantum yields

5. Direct and sensitized photoisomerization of 1,4-diphenylbutadienes

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