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