Microwave Spectrum, Molecular Structure, Barrier to Internal Rotation, and Dipole Moment of Methylketene
1966; American Institute of Physics; Volume: 45; Issue: 3 Linguagem: Inglês
10.1063/1.1727700
ISSN1520-9032
AutoresBørge Bak, Jørn Johs. Christiansen, Kaj Kunstmann, Lise Nygaard, John Rastrup-Andersen,
Tópico(s)Organic and Inorganic Chemical Reactions
ResumoThe microwave spectra of the CD3 species and of seven monosubstituted isotopic species of CH3CH=C=O have been examined, and a complete structure of methylketene has been obtained by the substitution method. The structural parameters found are: C=O=1.171, C=C=1.306, C–C=1.518, C–H (vinyl)=1.083, and C–H (methyl)=1.083 or 1.11 Å (see text). The ketene group is linear, and the methyl group is staggered, ∠CCC=122.6°, ∠C(1)C(2)H(2)=113.7°, and ∠HCH=109.9° or 108.8°. The barrier splittings were used to determine the value of the barrier to hindered rotation and the angle between the methyl-axis and the principal-axis system for each of the monosubstituted species; V3=1177±20 cal/mole. The dipole moment of methylketene was measured on the 21,2→31,3transition, yielding μa=1.755, μb=0.35, μ=1.79 D.
Referência(s)