Strain in bicyclobutane: on the interpretation of quantitative data

Citation
E. Rozental et al., Strain in bicyclobutane: on the interpretation of quantitative data, CAN J CHEM, 77(5-6), 1999, pp. 537-539
Citations number
6
Categorie Soggetti
Chemistry
Journal title
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
ISSN journal
00084042 → ACNP
Volume
77
Issue
5-6
Year of publication
1999
Pages
537 - 539
Database
ISI
SICI code
0008-4042(199905/06)77:5-6<537:SIBOTI>2.0.ZU;2-3
Abstract
In small rings, strain energy is believed to be dominated by bond angles (B aeyer strain). However, it was found (Dill et al.) that, in bicyclobutane, bridgehead substitution effects on strain energy range from +10 to -30 kcal . Ab initio computation at the 6-31G and 6-31+G* levels have shown that the deformation caused by the bridgehead substitution is minimal and so are it s energetic consequences.