Timescales of N–H bond dissociation in pyrrole: a nonadiabatic dynamics study-Reference-Cited by-同舟云学术

Timescales of N–H bond dissociation in pyrrole: a nonadiabatic dynamics study

Published:2015 Issue:29 Volume:17 Page:19012-19020
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sapunar Marin¹²³⁴,Ponzi Aurora⁵⁶⁷⁸,Chaiwongwattana Sermsiri¹²³⁴,Mališ Momir¹²³⁴,Prlj Antonio⁹¹⁰¹¹,Decleva Piero⁵⁶⁷⁸,Došlić Nađa¹²³⁴

Affiliation:

1. Department of Physical Chemistry

2. Ruđer Bošković Institute

3. HR-10000 Zagreb

4. Croatia

5. Dipartimento di Scienze Chimiche

6. Università di Trieste

7. I-34127 Trieste

8. Italy

9. Ecole Polytechnique Fédérale de Lausanne

10. CH-1015 Lausanne

11. Switzerland

Abstract

The excitation wavelength dependent photodynamics of pyrrole are investigated by surface-hopping nonadiabatic dynamics simulations. The results are explained in terms of correct Rydberg–valence interaction in the lowest B₂ state.

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/C5CP02100F

Reference68 articles.

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5. Near ultraviolet photolysis of deuterated pyrrole

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