Back to Search Start Over

Steric strain versus hyperconjugative stabilization in ethane congeners

Authors :
Lingchun Song
Yuchun Li
Wei Wu
Qianer Zhang
Yirong Mo
Source :
Journal of Physical Chemistry A. March 17, 2005, Vol. 109 Issue 10, 2310-7
Publication Year :
2005

Abstract

The rotation barriers in the group IVB ethane congeners H3X-YH3 (X, Y = C, Si, Ge, Sn, Pb) are systematically studied and deciphered using the ab initio valence bond theory in terms of the steric strain and hyperconjugation effect. The results obtained show that in all cases the rotation barriers are dominated by the steric repulsion whereas the hyperconjugative interaction between the X-H bond orbitals and the vicinal Y-H antibond orbitals plays a secondary role.

Details

Language :
English
ISSN :
10895639
Volume :
109
Issue :
10
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.132752792