Reinvestigation of sigma-allyl cations: High level ab initio quantum mechanical predictions

Authors
Baldridge, KK Leahy, J Siegel, JS
Citation
Kk. Baldridge et al., Reinvestigation of sigma-allyl cations: High level ab initio quantum mechanical predictions, TETRAHEDR L, 40(18), 1999, pp. 3503-3506
Citations number
23
Categorie Soggetti
Chemistry & Analysis","Organic Chemistry/Polymer Science
Journal title
TETRAHEDRON LETTERS
ISSN journal
00404039 → ACNP
Volume
40
Issue
18
Year of publication
1999
Pages
3503 - 3506
Database
ISI
SICI code
0040-4039(19990430)40:18<3503:ROSCHL>2.0.ZU;2-N
Abstract
The question of stability of sigma-delocalized allyl cations is reinvestiga ted by hybrid HF-DFT quantum mechanical calculations. These computations pr edict that the existing molecular proposals, for such effects, are not symm etrically delocalized systems. (C) 1999 Elsevier Science Ltd. All rights re served.