Composite Parameter Method: Application to Calculated Stabilization Energies of Strained and Unsaturated Molecules

Document Type

Article

Publication Date

1-1-1985

Abstract

Ab initio molecular orbital calculations at the 4-31G level have been employed to obtain methyl stabilization energies of monosubstituted ethylenes, ethynes, cyclopropanes, and benzenes. A technique called the composite parameter method is developed and applied to correlations between methyl stabilization energies of the four classes of substituted hydrocarbons. The technique establishes the consistency and utility of the data set and also shows that the pattern of stabilization energies in ethynes is markedly different from those of the other three molecular classes. © 1985, American Chemical Society. All rights reserved.

Identifier

0141945558 (Scopus)

Publication Title

Journal of Organic Chemistry

External Full Text Location

https://doi.org/10.1021/jo00215a009

e-ISSN

15206904

ISSN

00223263

First Page

2643

Last Page

2646

Issue

15

Volume

50

This document is currently not available here.

Share

COinS