Campus Units

Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

4-2000

Journal or Book Title

Journal of Physical Chemistry A

Volume

104

Issue

17

First Page

4058

Last Page

4063

DOI

10.1021/jp993643d

Abstract

Several possible mechanisms for the synthesis of small ring systems, (H(OH)SiO)n, (n = 3 and 4), the three- (D3) and four- (D4) membered cyclosiloxanes, respectively, are investigated with ab initio molecular orbital methods including electron correlation effects. It is found that the substantial potential energy barriers that must be overcome for these species to form are reduced to nearly zero in the presence of a water molecule that represents the solvent.

Comments

Reprinted (adapted) with permission from Journal of Physical Chemistry A 104 (2000): 4058, doi:10.1021/jp993643d. Copyright 2000 American Chemical Society.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

Included in

Chemistry Commons

Share

COinS