Campus Units

Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

1-1996

Journal or Book Title

Journal of Physical Chemistry

Volume

100

Issue

1

First Page

95

Last Page

99

DOI

10.1021/jp951722t

Abstract

The potential stability of van der Waals complexes M−H2 (M = Li, Be, B, C, Na, Mg, Al, Si) is assessed using quadratic configuration interaction and large basis sets. It is found that the alkali metals and alkaline earths form very weak complexes in their ground states, but much stronger complexes in their (p) excited states. The elements B, Al, C, and Si form both linear (Cv) and perpendicular (C2v) complexes, with greater thermodynamic stability in the latter arrangements. The complexes formed by C are likely to be kinetically unstable, and the same may be the case for Si. On the other hand, the complexes formed by B and Al are predicted to be quite stable.

Comments

Reprinted (adapted) with permission from Journal of Physical Chemistry 100 (1996): 95, doi:10.1021/jp951722t. Copyright 1996 American Chemical Society.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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