HF VAPOR

Authors
Citation
Ma. Suhm, HF VAPOR, Berichte der Bunsengesellschaft fur Physikalische Chemie, 99(10), 1995, pp. 1159-1167
Citations number
65
Categorie Soggetti
Chemistry Physical
Journal title
Berichte der Bunsengesellschaft fur Physikalische Chemie
ISSN journal
00059021 → ACNP
Volume
99
Issue
10
Year of publication
1995
Pages
1159 - 1167
Database
ISI
SICI code
0005-9021(1995)99:10<1159:HV>2.0.ZU;2-9
Abstract
IR absorption spectroscopy of HF clusters in synchronized pulsed super sonic jet expansions and at thermal equilibrium is combined with a 1+2 +3 body decomposition scheme of the potential energy surfaces, differe nt quantum chemical approaches and multidimensional vibrational quantu m Monte Carlo calculations to characterize all major constituents (HF) (n) (n=1-8) of the strongly associated HF vapor phase in terms of thei r structure, spectra, energetics, dynamics and abundance. From this da ta base, a microscopic quantum statistical model of HF vapor up to mod erate pressures is constructed. Comparison to existing bulk thermodyna mic data confirms that the model provides a globally correct and detai led microscopic description of this unique association phenomenon toge ther with its explanation.