The Journal of Chemical Physics · 1988 · 226 citations · 30 references
Natural SciencesChemistryPhysicsPhysical ChemistrySpectroscopic AnalysisSpectroscopyAb Initio MethodsInfrared SpectroscopyIntermolecular ForcesIntermolecular InteractionsLaser SpectroscopyMolecular SpectroscopyEquilibriumFar-infrared SpectroscopyInfrared Laser SpectroscopyInfrared SpectraMolecular Beam SpectroscopyMolecular Geometry DeterminationMolecular Potential ModelsVan Der Waals Interactions
Two new intermolecular potentials for Ar–HCl are obtained by least-squares fitting to molecular beam microwave and far-infrared laser spectra of the Ar–HCl van der Waals complex. In agreement with previous potentials, the equilibrium geometry is found to be linear Ar–H–Cl, with a well depth around 175 cm−1. However, the far-infrared spectra allow the potential in the region of the linear Ar–Cl–H geometry to be determined as well, and a secondary minimum is found at this geometry, with a depth around 140 cm−1. The secondary minimum arises because the Ar atom can approach closer to the Cl atom at the linear geometry than at a T-shaped geometry. The fitted potential is used to calculate additional bound states of the Ar–HCl van der Waals complex, which have not yet been observed spectroscopically.
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