Journal article
A molecular orbital theory of hydrocarbons
Abstract
The molecular orbital theory of hydrocarbons developed in a previous paper [1] has been extended and applied to the molecules ethane, ethylene and acetylene, enabling the long-range bond orders, and hence the extent of the delocalization of electrons between σ bonds, to be compared for the three hybridizations sp3, sp2 and sp. It is found that the geminal bond orders are sensitive to changes in hybridization as they depend directly on the …
Authors
Pople JA; Santry DP
Journal
Molecular Physics, Vol. 9, No. 4, pp. 301–310
Publisher
Taylor & Francis
Publication Date
January 1965
DOI
10.1080/00268976500100431
ISSN
0026-8976