Barone, Vincenzo ; Rega, Nadia ; Bally, Thomas ; Sastry, G. Narahari (1999) Ring-opening reaction of cyclobutene radical cation: effect of solvent on competing pathways The Journal of Physical Chemistry A, 103 (2). pp. 217-219. ISSN 1089-5639
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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp983720p
Related URL: http://dx.doi.org/10.1021/jp983720p
Abstract
We have recomputed the activation barriers for the different modes of ring opening of the cyclobutene radical cation (see: Sastry, G. N.; Bally, T.; Hrouda, V.; Carsky, P. J. Am. Chem. Soc. 1998, 120, 9323) in CHCl3, a typical solvent for studies of radical cation reactions, by a polarizable continuum model. Thereby, we found a clear preference for the reaction leading directly to trans-butadiene radical cation via a cyclopropenyl−carbinyl type radical cation, in contrast to expectations of a normal “electrocyclic” pathway leading to cis-butadiene radical cation.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 106209 |
| Deposited On: | 02 Aug 2017 06:46 |
| Last Modified: | 02 Aug 2017 06:46 |
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