Title

The Shape of Perfluorobutyryl Fluoride, C3F7COF, in the Gas Phase

Abstract

The pure rotational spectrum of perfluorobutyryl fluoride, C 3F7COF, 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.

Department(s)

Chemistry

International Standard Serial Number (ISSN)

222860

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2010 Elsevier, All rights reserved.


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