Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics · 1974 · 108 citations · 0 references
Natural SciencesChemistryPhysicsQuantum ChemistrySpectroscopic AnalysisSpectroscopyElectron CorrelationElectron DiffractionIntermolecular ForcesMicrowave SpectroscopyMolecular StructureStructure-property RelationshipsBond AnglesDiffraction AnalysisDiffraction Pattern AnalysisElectron Diffraction Pattern AnalysisEstimation Of Structural ParametersGas Electron DiffractionMolecular Scattering TheoryStructure Determination By Electron Diffraction
Gas phase electron diffraction patterns were analyzed and molecular structures for vinyl fluoride, trans-1,2-difluoroethylene, cis-1,2-difluoroethylene, 1,1-difluoroethylene, trifluoroethylene, and tetrafluoroethylene were derived from these data. Structural parameters were obtained by least squares fitting of the calculated to the experimental molecular scattering functions, allowing for simultaneous variation of the non-correlated parameters. A statistical procedure was used to evaluate error limits for the correlated parameters. Moments of inertia computed from the currently reported interatomic distances are in agreement with those derived from microwave spectra. It was found that the measured CC distances correlate with reported vibrational force constants, and the pertinent bond angles are consistent with observed dipole moments.