[1,3]-SIGMATROPIC REARRANGEMENT OF 1,3,5-TRIPHOSPHABICYCLO[2.1.0]PENT-2-ENE

Authors
BACHRACH SM CALIMAN V NIXON JF
Citation
Sm. Bachrach et al., [1,3]-SIGMATROPIC REARRANGEMENT OF 1,3,5-TRIPHOSPHABICYCLO[2.1.0]PENT-2-ENE, Journal of the Chemical Society, Chemical Communications, (23), 1995, pp. 2395-2396
Citations number
12
Categorie Soggetti
Chemistry
Journal title
Journal of the Chemical Society, Chemical Communications → ACNP
ISSN journal
00224936
Issue
23
Year of publication
1995
Pages
2395 - 2396
Database
ISI
SICI code
0022-4936(1995):23<2395:[RO1>2.0.ZU;2-T
Abstract
The activation barrier for the [1,3]-phosphorus migration in the title compound is estimated (MP4SDTQ/6-31 G//MP2/6-31 G* + ZPE) to be 11.6 2 kcal mol(-1) (1 cal = 4.184 J), which is considerably smaller than t he barrier (31.13 kcal mol(-1)) for [1,3]-carbon migration in the corr esponding hydrocarbon.