Title
Characterization of the <tex>$CH_{3}F-BF_{3}$</tex> Van der Waals complex in the vapor phase Characterization of the <tex>$CH_{3}F-BF_{3}$</tex> Van der Waals complex in the vapor phase
Author
Faculty/Department
Faculty of Sciences. Chemistry
Publication type
article
Publication
Amsterdam ,
Subject
Chemistry
Source (journal)
Journal of molecular structure. - Amsterdam
Volume/pages
563(2001) , p. 221-226
ISSN
0022-2860
0022-2860
ISI
000169136200030
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
Using variable-temperature infrared spectroscopy, the vapor phase complexation enthalpy for the van der Waals complex CH3F . BF3 has been determined to be -16.5(7) kJ mol(-1). This value is compared with literature values obtained for solutions in liquid argon and in liquid krypton. The complexation enthalpy was transformed by statistical thermodynamics into a complexation enthalpy of -19.8(14) kT mol(-1), and this value is compared with ab initio results in which the geometry of the complex is optimized at different levels between MP2/6-31++G(d,p) and MP2/aug-cc-PVQZ, using BSSE-conected potential energy surfaces. (C) 2001 Elsevier Science B.V. All rights reserved.
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