Australian Journal of Chemistry · 1965 · 14 citations · 0 references
Natural SciencesChemistryPhysicsPhysical ChemistrySpectroscopyTheoretical ChemistryAb Initio MethodsCrystal ChemistryElectronic Band StructureInfrared SpectroscopyMolecular Orbital TheoryVibrational StructureElectronic Structure AnalysisInfrared Absorption SpectraInfrared Absorption SpectroscopyInfrared SpectraMolecular Force ConstantsNormal Coordinate AnalysisThermodynamic AnalysisVibrational Analysis
An investigation of the infrared spectrum of gaseous thio-thionyl fluoride (SSF2) results in the following assignment of fundamentals: A': v1 760.5±0.2cm-1, v2 718.5±0.2 cm-1, v3 411.2±0.4cm-1, v4 364.1±0.3 cm-1. A": v5 692.3±0.8cm-1, v6 337.6±0.4 cm-1. A normal coordinate vibrational analysis has been performed and a set of ten force constants evaluated. Some conclusions are given regarding the electronic structure of SSF2. Thermodynamic functions based on the usual assumptions have been calculated for SSF2. A set of potential constants has been evaluated for disulphur monoxide, SSO, using the available infrared data.