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Femtosecond β-cleavage dynamics: Observation of the diradical intermediate in the nonconcerted reactions of cyclic ethers

Scala, A. A. and Diau, E. W.-G. and Kim, Z. H. and Zewail, A. H. (1998) Femtosecond β-cleavage dynamics: Observation of the diradical intermediate in the nonconcerted reactions of cyclic ethers. Journal of Chemical Physics, 108 (19). pp. 7933-7936. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:SCAjcp98

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Abstract

Femtosecond (fs) dynamics of reactions of cyclic ethers, symmetric and asymmetric structures, are reported. The diradical intermediates and their beta-cleavages, which involve simultaneous C-C, C-H sigma-bond breakage and C-O, C-C pi-bond formation, are observed and studied by fs-resolved mass spectrometry. To compare with experiments, we present density functional theory calculations of the potential energy surface and microcanonical rates and product distributions.


Item Type:Article
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http://scitation.aip.org/content/aip/journal/jcp/108/19/10.1063/1.476409PublisherArticle
Additional Information:© 1998 American Institute of Physics. Received 18 February 1998; accepted 11 March 1998. This work was supported by the Office of Naval Research and the National Science Foundation. A.A.S. would like to thank Worcester Polytechnic Institute for a sabbatical leave at Caltech.
Funders:
Funding AgencyGrant Number
Office of Naval Research (ONR)UNSPECIFIED
NSFUNSPECIFIED
Subject Keywords:organic compounds; density functional theory; time resolved spectra; mass spectra; dissociation; free radical reactions; potential energy surfaces
Record Number:CaltechAUTHORS:SCAjcp98
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:SCAjcp98
Alternative URL:http://dx.doi.org/10.1063/1.476409
Official Citation:Femtosecond β-cleavage dynamics: Observation of the diradical intermediate in the nonconcerted reactions of cyclic ethers Scala, A. A. and Diau, E. W.-G. and Kim, Z. H. and Zewail, A. H., The Journal of Chemical Physics, 108, 7933-7936 (1998), DOI:http://dx.doi.org/10.1063/1.476409
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:2083
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:07 Mar 2006
Last Modified:15 Aug 2016 18:59

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