Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1411091 | Journal of Molecular Structure | 2010 | 4 Pages |
Abstract
The pure rotational spectrum of perfluorobutyryl fluoride, C3F7COF, was measured using a pulsed nozzle, chirped pulse Fourier transform microwave spectrometer. A total of 280 transitions for the only observed conformer were recorded and analyzed. The rotational constants are A = 1397.4330(1) MHz, B = 619.17456(8) MHz, and C = 592.06831(8) MHz. Quantum chemical calculations and the spectral analysis indicate that the observed conformer is the skew–anti form with calculated dihedral angles ∠∠CCCO = 120°, and ∠∠CCCC ≈ 170°. Conformational differences between perfluorobutyryl fluoride, perfluorobutyryl chloride, butyryl fluoride and butyryl chloride are discussed.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
G.S. Grubbs II, C.T. Dewberry, S.A. Cooke, Wei Lin,