Campus Units

Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

5-1998

Journal or Book Title

Journal of Physical Chemistry A

Volume

102

Issue

24

First Page

4666

Last Page

4668

DOI

10.1021/jp980751b

Abstract

The reaction mechanism for the addition of disilanes to the π bond of ethylene was studied by ab initio molecular orbital methods. Optimized structures were predicted using restricted Hartree−Fock wave functions and a triple ζ plus polarization basis set. The reaction barrier was found to be about 50 kcal/mol using both second- and fourth-order perturbation theory with the same basis set.

Comments

Reprinted (adapted) with permission from Journal of Physical Chemistry A 102 (1998): 4666, doi:10.1021/jp980751b. Copyright 1998 American Chemical Society.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

Included in

Chemistry Commons

Share

COinS