Campus Units

Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

4-1994

Journal or Book Title

Journal of the American Chemical Society

Volume

116

Issue

8

First Page

3568

Last Page

3579

DOI

10.1021/ja00087a050

Abstract

A thorough ab initio investigation of the pseudorotation of the pentacoordinated silicon anions SiHs...Xn- (X = F, Cl; n = 0-5) is reported. The minima and maxima of each of the systems under consideration are characterized and intrinsic reaction coordinate (IRC) calculations are performed to connect the maxima with corresponding minima. These systems are compared to the Berry pseudorotation mechanism and earlier calculations on these systems.

Comments

This article is from Journal of the American Chemical Society 116 (1994): 3568. doi:10.1021/ja00087a050.

Rights

Works produced by employees of the U.S. Government as part of their official duties are not copyrighted within the U.S. The content of this document is not copyrighted.

Language

en

File Format

application/pdf

Included in

Chemistry Commons

Share

COinS