The Journal of Physical Chemistry A · 2008 · 14 citations · 21 references
Natural SciencesChemistryPhysicsOrganic ChemistrySpectroscopic AnalysisSpectroscopyMicrowave SpectroscopyMolecular RotationMolecular SpectroscopyMolecular SymmetryRotational SpectroscopyRotational StructureCarbonyl Sulfide ChemistryDipole Moment DeterminationFourier Transform Microwave SpectroscopyMolecular Geometry DeterminationMolecular Rotational ConstantsMolecular Rotational SpectroscopyPure Rotational SpectraRotational Properties
The pure rotational spectra of four isotopologues of the difluoromethane-carbonyl sulfide dimer have been measured in the 5-15 GHz region with use of pulsed-nozzle Fourier-transform microwave spectroscopy. The complex was determined to possess an ab plane of symmetry with a center of mass separation of 3.41(2) A and dipole moment components mu(a) = 1.1386(18) D, mu(b) = 0.4840(63) D, mu(total) = 1.2372(41) D. Experimental planar moments indicate that the two fluorine atoms straddle the symmetry plane while one of the C-H bonds of the difluoromethane monomer is aligned to interact with the oxygen atom of the OCS molecule. The assignment of the rotational spectrum for this dimer completes the experimental studies of the series of dimers involving fluorinated methanes (HCF(3), H(2)CF(2), and H(3)CF) complexed with OCS and makes possible a comparison of properties within this series.
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