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Estimates of the ab initio limit for sulfur-Pi interactions: The H(sub 2)S-benzene dimer

Authors :
Tauer, Tony P.
Derrick, M. Elizabeth
Sherrill, C. David
Source :
Journal of Physical Chemistry A. Jan 13, 2005, Vol. 109 Issue 1, p191, 5 p.
Publication Year :
2005

Abstract

A study is conducted to examine H(sub 2)S-benzene dimer as the simplest model of sulfur-Pi interactions. Analysis of the interaction using symmetry-adapted perturbation theory, along with potential energy curve for rotation of the H(sub 2)S unit relative to the benzene ring, suggests that the sulfur-Pi interaction is an electrostatic attraction between the partial positive hydrogen in H(sub 2)S and the negatively charged Pi electrons of benzene.

Details

Language :
English
ISSN :
10895639
Volume :
109
Issue :
1
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.132455182