Campus Units

Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

2-1995

Journal or Book Title

Organometallics

Volume

14

Issue

2

First Page

1067

Last Page

1069

DOI

10.1021/om00002a063

Abstract

The additions of SiFz and Sic12 to ethylene have been studied using fourth order perturbation theory and the 6-31 1 Wd,p) basis set at geometries determined with second order perturbation theory. In contrast with earlier calculations on the analogous SiHz addition, found to proceed with no barrier, barrier heights of 18.4 and 4.5 kcallmol are predicted for the fluoro- and chlorosilylenes, respectively. These results are interepreted in terms of the net energetics, ring strain, and orbital properties.

Comments

Reprinted (adapted) with permission from Organometallics 14 (1995): 1067, doi:10.1021/om00002a063. Copyright 1995 American Chemical Society.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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