Chemistry - A European Journal · 1998 · 22 citations · 0 references
Natural SciencesChemistryPhysicsPhysical ChemistrySpectroscopyTheoretical ChemistryAb Initio MethodsInfrared SpectroscopyMolecular ThermodynamicsMolecular VibrationVibrational SpectroscopyVibrational StructureAb Initio CalculationsAb Initio Molecular CalculationsComputational Vibrational SpectroscopyEnthalpyInfrared Absorption SpectraInfrared SpectraVan Der Waals InteractionsVibrational Analysis
A weakly bound van der Waals complex is formed between cyclopropane and boron trifluoride dissolved in liquid argon or liquid nitrogen. A complexation enthalpy of −7.8(6) kJ mol−1 was determined by analysis of infrared spectra recorded at several temperatures between 93 and 125 K of a solution in liquid argon. Ab initio calculations at the MP2/6-31 + G(d) level gave insight into the structure of the complex, shown here, and supported the assignment of the vibrational spectra.