Zeitschrift für Naturforschung A · 1975 · 14 citations · 0 references
Natural SciencesChemistryCrystal StructureOrganic ChemistrySpectroscopyCrystal ChemistryCrystallographyElectron DiffractionMolecular StructureMolecular SymmetryStructure DeterminationBond AnglesCrystal Symmetry DeterminationExperimental CharacterizationGas Electron DiffractionMolecular Force ConstantsMolecular Geometry DeterminationMolecular Rotational ConstantsMolecular Structure Determination
Abstract Gas electron diffraction (GED) intensities of CSFCl were measured and resulted in an r a - structure of this molecule. An r av -structure was obtained by combining our GED-data and the rotational constants reported by Kohrmann and Zeil. Both structures were found to be consistent within their uncertainties. The planar structure of CSFCl has been confirmed. A least squares analysis resulted in the following r g -distances and bond angles: r(C-Cl) =1.7178±0.0009 Å, r(C=S) =1.5931 ±0.0008 Å, r(C-F) =1.3387±0.0014 Å, ∢ S = (C-Cl)=127.28 ± 0.09°, ∢(S=C-F)= 123.58 ±0.12°. Inclusion of rotational constants into the GED-analysis allowed an experimental determination of all mean square amplitudes (MSA). We have used the valence force constants obtained by Kohrmann to evaluate the MSA theoretically. Qualitative agreement was found between the theoretical and experimental values of the MSA.