Title
Vibrational analysis of the van der Waals complexes between vinyl fluoride and hydrogen chloride in liquefied argon Vibrational analysis of the van der Waals complexes between vinyl fluoride and hydrogen chloride in liquefied argon
Author
Faculty/Department
Faculty of Sciences. Chemistry
Publication type
article
Publication
Washington, D.C. ,
Subject
Chemistry
Source (journal)
The journal of physical chemistry. - Washington, D.C., 1952 - 1996
Volume/pages
100(1996) :39 , p. 15695-15703
ISSN
0022-3654
0092-7325
1541-5740
ISI
A1996VK04600011
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The mid-infrared spectra (4000-400 cm(-1)) of vinyl fluoride/HCl and vinyl fluoride/DCl mixtures, dissolved in liquefied argon at 105 K, were examined. In both cases, evidence was found for the occurrence of a 1:1 van der Waals complex between CH2 = CHF and HCl (DCl). At higher concentrations of hydrogen chloride, absorption bands of a 1:2 species were also observed. By using spectra recorded at several temperatures between 95 and 115 K, the complexation enthalpies of CH2 = CHF . HCl and CH2 = CHF .(HCl)2 were determined to be -5.78 +/- 0.13 and -9.85 +/- 0.34 kJ mol(-1), respectively. A structural study, using nb initio calculations at the MP2/6-31 + G** level, indicates that the complexation can occur either via the fluorine atom or via the pi bond. From a comparison of the experimental with the ab initio vibrational frequencies, it was concluded that all observed bands of the 1:1 complex are due to a species complexed via the fluorine atom.
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