The Journal of Chemical Physics · 2010 · 10 citations · 30 references
Natural SciencesChemistryPhysicsPhysical ChemistrySpectroscopic AnalysisSpectroscopyAtomic SpectraFine StructureHyperfine StructureInorganic SpectroscopyRotational SpectroscopyStark EffectHyperfine InteractionsHyperfine SpectroscopyMolecular Beam ExperimentsMolecular Beam SpectroscopyStark Effect In MoleculesStark Effect In Rotational SpectraStark Effect MeasurementsStark Spectroscopy
A number of low-rotational lines of the A (2)Sigma(-) <-- X (2)Pi(3/2)(0,0) subband of a molecular beam of copper monoxide, CuO, were recorded field free and in the presence of a static electric field. A set of optimized fine and hyperfine parameters for the A (2)Sigma(-)(upsilon(') = 0) state was produced from the analysis of the field-free spectrum. The permanent electric dipole moments mu for the A (2)Sigma(-)(upsilon = 0) and X (2)Pi(3/2)(upsilon = 0) states were determined to be 1.12(71) and 4.57(3) D, respectively, from the analysis of the observed Stark shifts. The error of the experimentally determined mu value for the X (2)Pi(3/2)(upsilon = 0) state is approximately ten times less than that for the previously determined value: mu = 4.45(30) D [T. C. Steimle et al., J. Chem. Phys. 87, 5670 (1987)]. The experimental mu values are compared with theoretical predictions.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13