Smith, M.J. and Bucher, G. (2010) Quenching of triplet benzophenone by benzene and diphenyl ether – a DFT study. Journal of Physical Chemistry A, 114(39), pp. 10712-10716. (doi: 10.1021/jp105962r)
Full text not currently available from Enlighten.
Abstract
The reaction of triplet benzophenone with benzene and diphenyl ether has been studied by density functional theory. Quenching of the triplet ketone is predicted to occur by addition of the carbonyl oxygen to the arene chromophores. The reaction is accompanied by a significant degree of charge transfer. In case of the reaction of triplet benzophenone with diphenyl ether (DPE), addition is predicted to occur preferentially at the ortho position of the DPE molecule. Addition to the ipso-position of DPE, which provides a pathway for formation of the phenoxy radical, is predicted to occur as a minor reaction pathway.
Item Type: | Articles |
---|---|
Status: | Published |
Refereed: | Yes |
Glasgow Author(s) Enlighten ID: | Bucher, Dr Goetz and Smith, Dr Margaret |
Authors: | Smith, M.J., and Bucher, G. |
College/School: | College of Science and Engineering > School of Chemistry |
Journal Name: | Journal of Physical Chemistry A |
ISSN: | 1089-5639 |
Published Online: | 01 January 2010 |
University Staff: Request a correction | Enlighten Editors: Update this record