ON HYDROGEN-BONDED COMPLEXES - THE CASE OF (HF)(2)

Authors
Citation
M. Quack et Ma. Suhm, ON HYDROGEN-BONDED COMPLEXES - THE CASE OF (HF)(2), Theoretica Chimica Acta, 93(2), 1996, pp. 61-65
Citations number
30
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
00405744
Volume
93
Issue
2
Year of publication
1996
Pages
61 - 65
Database
ISI
SICI code
0040-5744(1996)93:2<61:OHC-TC>2.0.ZU;2-V
Abstract
The hydrogen fluoride dimer (HF)(2) is the most completely characteriz ed hydrogen bonded species incorporating a donor molecule and an accep tor molecule. We provide a summary of experimental and theoretical inf ormation pertinent to the fundamental and harmonic vibrational frequen cies, equilibrium geometry and dissociation energies D-e and D-0 as we ll as a brief critical discussion including some new results on the po tential function and current ''best estimates'' of experimental quanti ties.