AB-INITIO STUDIES ON THE MECHANISM OF THE FLUOROKETENE-IMINE CYCLOADDITION REACTION - VIA A GAUCHE OR TRANS INTERMEDIATE

Authors
FANG DC FU XY
Citation
Dc. Fang et Xy. Fu, AB-INITIO STUDIES ON THE MECHANISM OF THE FLUOROKETENE-IMINE CYCLOADDITION REACTION - VIA A GAUCHE OR TRANS INTERMEDIATE, International journal of quantum chemistry, 57(6), 1996, pp. 1107-1114
Citations number
19
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
57
Issue
6
Year of publication
1996
Pages
1107 - 1114
Database
ISI
SICI code
0020-7608(1996)57:6<1107:ASOTMO>2.0.ZU;2-G
Abstract
The cycloaddition reaction of FCH=C=O and NH2CH=NH leading to 2-azetid inone was studied theoretically at the level of RHF/6-31G and RHF/6-31 G. Two possible mechanisms via a gauche or trans intermediate were co mpared. The obtained results show that the reaction proceeds in a gauc he manner much easier than in a trans one. (C) 1996 John Wiley & Sons, Inc.