Authors
Citation
Mjs. Dewar et al., COMPUTATION OF AN ORBITAL ISOMER OF CYCLOBUTYNE, Journal of the Chemical Society, Chemical Communications, (9), 1994, pp. 1105-1106
Citations number
11
Categorie Soggetti
Chemistry
Journal title
ISSN journal
00224936
Issue
9
Year of publication
1994
Pages
1105 - 1106
Database
ISI
SICI code
0022-4936(1994):9<1105:COAOIO>2.0.ZU;2-1
Abstract
AM1 molecular orbital calculations of the ring-expansion of cyclopropy
lidenecarbene 4 and the dehydrogenation of cyclobutene show that this
process affords an orbital isomer 1 of cyclobutyne that is the global
minimum and reacts in opposition to orbital symmetry predictions.