Back to Search Start Over

[sigma]- and [pi]-bond strengths in main group 3-5 compounds

Authors :
Grant, Daniel J.
Dixon, David A.
Source :
Journal of Physical Chemistry A. Nov 30, 2006, Vol. 110 Issue 47, p12955, 8 p.
Publication Year :
2006

Abstract

Ab initio molecular electronic structure theory is used to calculate the [sigma]- and [pi]-bond strengths for the molecules B[H.sub.2]N[H.sub.2], B[H.sub.2]P[H.sub.2], Al[H.sub.2]N[H.sub.2] and Al[H.sub.2]P[H.sub.2]. The adiabatic [sigma]-bond energy is described as the dissociation energy of A[H.sub.2]X[H.sub.2] to A[H.sub.2] X[H.sub.2] in their ground states minus the adiabatic [pi]-bond energy.

Details

Language :
English
ISSN :
10895639
Volume :
110
Issue :
47
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.156517836