Kyne, S. H., Lin, C. Y., Ryu, I. , Coote, M. L. and Schiesser, C. H. (2010) First determination of the rate constant for ring-closure of an azahexenoyl radical: 6-aza-7-ethyl-5-hexenoyl. Chemical Communications, 46 (35). pp. 6521-6523. ISSN 1359-7345
Full content URL: http://dx.doi.org/10.1039/c0cc01262a
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| Item Type: | Article |
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| Item Status: | Live Archive |
Abstract
Competitive kinetic experiments utilising free radical carbonylation chemistry provide a first estimate for the rate constant for 6-endo cyclization of the 6-aza-7-ethyl-5-hexenoyl radical of (4.8 ± 2.4) X 106 s-1 at 90 ° C in benzene, in good agreement with ONIOM-G3(MP2)-CC+COSMO-RS calculations (6.8 X 106 s -1).
| Keywords: | Free radical carbonylation, Intramolecular cyclisation, Reaction kinetics, computational modeling |
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| Subjects: | F Physical Sciences > F160 Organic Chemistry F Physical Sciences > F190 Chemistry not elsewhere classified |
| Divisions: | College of Science > School of Chemistry |
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| ID Code: | 17619 |
| Deposited On: | 12 Jun 2015 04:31 |
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