Abstract
Using variable-temperature infrared spectroscopy, the vapor phase complexation enthalpy for the van der Waals complex CH 3F·BF 3 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) kJ 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-corrected potential energy surfaces.
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