Calculation of Energy Levels for Internal Torsion and Over-All Rotation. II. CH3CHO Type Molecules; Acetaldehyde Spectra

Calculation of Energy Levels for Internal Torsion and Over-All Rotation. II. CH3CHO Type Molecules; Acetaldehyde Spectra

Methods are described for the calculation of energy levels for the over-all rotation and internal torsion of molecules with a plane of symmetry and one symmetric internal rotor. Typical examples are CH3CHO, CH3SiH2D, and CH3OH. Analysis of the microwave spectra of CH3CHO, CD3CDO, CD3CHO, CH2DCHO, CH...

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Veröffentlicht in:The Journal of chemical physics 1957-06, Vol.26 (6), p.1695-1703
Hauptverfasser: Kilb, R. W., Lin, Chun Chia, Wilson, E. B.
Format: Artikel
Sprache:eng
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Zusammenfassung:Methods are described for the calculation of energy levels for the over-all rotation and internal torsion of molecules with a plane of symmetry and one symmetric internal rotor. Typical examples are CH3CHO, CH3SiH2D, and CH3OH. Analysis of the microwave spectra of CH3CHO, CD3CDO, CD3CHO, CH2DCHO, CHD2CHO, C13H3CHO, CH3C13HO, C13H3C13HO, and CH3CHO18 yields V3=1162, 1151, 1143±30 cal, and V6
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1743607