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Interaction between metallic p orbitals and the (pie) orbitals of organic molecules: the binding between ethylene and aluminum

Authors :
King, Elizabeth M.
Clark, Stewart J
Verdozzi, Claudio F
Ackland, Graem J.
Source :
Journal of Physical Chemistry B. Jan 25, 2001, Vol. 105 Issue 3, 641-645
Publication Year :
2001

Abstract

A set of first principles calculations is conducted in order to determine the interaction of a (pi) bonded organic molecule with a simple s-p metal surface. The findings indicate that the binding between a (pi) and the (pi) orbitals of a simple metal atom cannot be extended to describe the binding with a p band of solid.

Details

Language :
English
ISSN :
15206106
Volume :
105
Issue :
3
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
edsgcl.125028899