Publication
Title
Characterization of the Van der Waals complex in the vapor phase
Author
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.
Language
English
Source (journal)
Journal of molecular structure. - Amsterdam
Publication
Amsterdam : 2001
ISSN
0022-2860
Volume/pages
563(2001), p. 221-226
ISI
000169136200030
Full text (Publishers DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 08.10.2008
Last edited 30.04.2017
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