Microwave Spectrum and Unusual Geometry of Propadienone (Methylene Ketene)

Ronald D. Brown, Peter D. Godfrey, Robert Champion, Donald McNaughton

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68 Citations (Scopus)

Abstract

The microwave spectra of several isotopic species of propadienone, CH2=C=C=0, have been analyzed to elucidate the geometry of this somewhat peculiar molecule. The heavy chain of atoms is found to be bent at the middle carbon by approximately 26° from the linear configuration. The nonlinearity is confirmed by the identification of cis and trans forms of monodeuteriopropadienone, by the lack of intensity alternation in the spectral lines, and by a substantial perpendicular component of the dipole moment [pb = 0.7914 (6) D.; µa = 2.156 (3) D.; µtotal, = 2.297 (3) D]. Both the geometry and the dipole moment are at variance with recent results of elaborate molecular orbital calculations.

Original languageEnglish
Pages (from-to)5711-5715
Number of pages5
JournalJournal of the American Chemical Society
Volume103
Issue number19
DOIs
Publication statusPublished - Sep 1981

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