Roberts, Gareth M., Chatterley, Adam S., Young, Jamie D. and Stavros, Vasilios G.. (2012) Direct Observation of Hydrogen Tunneling Dynamics in Photoexcited Phenol. The Journal of Physical Chemistry Letters, Vol. 3 (No. 3). pp. 348-352. ISSN 1948-7185

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Abstract

The excited-state dynamics of phenol following ultraviolet (UV) irradiation have received considerable interest in recent years, most notably because they can provide a model for understanding the UV-induced dynamics of the aromatic amino acid tyrosine. Despite this, there has been some debate as to whether hydrogen tunneling dynamics play a significant role in phenol’s excited-state O–H bond fission when UV excitation occurs below the 1ππ*/1πσ* conical intersection (CI). In this Letter, we present direct evidence that 1πσ*-mediated O–H bond fission below the 1ππ*/1πσ* CI proceeds exclusively through hydrogen tunneling dynamics. The observation of hydrogen tunneling may have some parallels with proton tunneling dynamics from tyrosine residues (along the O–H bond of the phenol moiety) in a wide range of natural enzymes, potentially adding further justification for utilizing phenols as model systems for investigating tyrosine-based dynamics.

Item Type:	Journal Article
Divisions:	Faculty of Science > Chemistry
Journal or Publication Title:	The Journal of Physical Chemistry Letters
Publisher:	American Chemical Society
ISSN:	1948-7185
Date:	12 January 2012
Volume:	Vol. 3
Number:	No. 3
Page Range:	pp. 348-352
Identification Number:	10.1021/jz2016318
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
URI:	http://wrap.warwick.ac.uk/id/eprint/42496

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