The response of the electronic structure to electronic excitation and double bond torsion in fulvene: a combined QTAIM, stress tensor and MO perspective-Reference-Cited by-同舟云学术

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The response of the electronic structure to electronic excitation and double bond torsion in fulvene: a combined QTAIM, stress tensor and MO perspective

Published:2014 Issue:15 Volume:16 Page:7115-7126
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Jenkins Samantha¹²³⁴,Blancafort Lluís⁵⁶⁷,Kirk Steven R.¹²³⁴,Bearpark Michael J.⁸⁹¹⁰

Affiliation:

1. Key Laboratory of Chemical Biology and Traditional Chinese Medicine Research (Ministry of Education of China) and Key Laboratory of Resource Fine-Processing and Advanced Materials of Hunan Province

2. College of Chemistry and Chemical Engineering

3. Hunan Normal University

4. Changsha Hunan 410081, China

5. Institut de Quimica Computational and Departament de Quimica

6. Universitat de Girona

7. Spain

8. Department of Chemistry

9. Imperial College

10. London, UK

Abstract

A new understanding of bond torsion reveals a bond-path doesn't rotate in concert with the nuclei of the rotated group.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP00003J

Reference37 articles.

1. Conical intersection dynamics of the primary photoisomerization event in vision

2. J. McMurry , Organic Chemistry , 8th edn, CengageBrain.com , UK , 2010

3. Spontaneous Emission Study of the Femtosecond Isomerization Dynamics of Rhodopsin

4. R. F. W. Bader , Atoms in Molecules: A Quantum Theory , Oxford University Press , USA , 1994

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