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. https://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.
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| 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. | ||||||||||||
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| Subject Keywords: | organic compounds; density functional theory; time resolved spectra; mass spectra; dissociation; free radical reactions; potential energy surfaces | ||||||||||||
| Issue or Number: | 19 | ||||||||||||
| Record Number: | CaltechAUTHORS:SCAjcp98 | ||||||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:SCAjcp98 | ||||||||||||
| 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: | 02 Oct 2019 22:49 |
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