Iqbal, Azhar, Pegg, Lara-Jane and Stavros, Vasilios G.. (2008) Direct versus indirect H atom elimination from photoexcited phenol molecules. Journal of Physical Chemistry A, Vol.112 (No.39). pp. 9531-9534. ISSN 1089-5639

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Abstract

The active role of the optically dark pi sigma* state, following UV absorption, has been implicated in the photochemistry of a number of biomolecules. This work focuses on the role of the pi sigma* state in the photochemistry of phenol upon excitation at 200 nm. By probing the neutral hydrogen following UV excitation, we show that hydrogen elimination along the dissociative pi sigma* potential energy surface occurs within 103 30 fs, indicating efficient coupling at the S-1/S-2 and S-0/S-2 conical intersections, with no identifiable role of statistical unimolecular decay of vibronically excited (SO) phenol in the timeframe of our measurements.

Item Type:	Journal Article
Subjects:	Q Science > QD Chemistry Q Science > QP Physiology
Divisions:	Faculty of Science > Chemistry
Library of Congress Subject Headings (LCSH):	Elimination reaction, Photochemistry, Phenol
Journal or Publication Title:	Journal of Physical Chemistry A
Publisher:	American Chemical Society
ISSN:	1089-5639
Official Date:	2 October 2008
Volume:	Vol.112
Number:	No.39
Number of Pages:	4
Page Range:	pp. 9531-9534
Identification Number:	10.1021/jp802155b
Status:	Peer Reviewed
Publication Status:	Published
Funder:	Royal Society (Great Britain), Engineering and Physical Sciences Research Council (EPSRC), University of Warwick
Grant number:	EP/E011187 (EPSRC)
URI:	http://wrap.warwick.ac.uk/id/eprint/29297

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