학술논문
Stereoelectronic interaction and their effects on conformational preference for 2-substituted methylenecyclohexane: an experimental and theoretical investigation
Document Type
Academic Journal
Source
Journal of Physical Chemistry A. Sept 18, 2008, Vol. 112 Issue 37, 8785-8789
Subject
Language
English
ISSN
1089-5639
Abstract
Conformational preferences for 2-substituted methylenecyclohexanes are determined by using [super 3][J.sub.[H.sub.2][H.sub.3]] spin-spin coupling constants, while stereoelectronic interactions are obtained by using theoretical calculations and NBO analysis. The conformational equilibrium of compounds is represented by their axial and equatorial conformers, where the axial conformers are the most stable form in polar and nonpolar solvents.