DETERMINATION OF THE GEOMETRIC STRUCTURE OF BUTATRIENYLIDENE, $H_{2}CCCC$, AND OF THE HYPERFINE STRUCTURE OF PROPYNONYL, HCCCO

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1996

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Ohio State University

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The microwave spectra of the N = 1 - 0 and 2 -1 transitions of six isotopic species of the singlet carbene butatrienylidene (H2CCCC,H2CCC13C,H2CC13CC,H2C13CCC,H213CCCC,D2CCCC) were measured with a Fourier transform microwave spectrometer and the r0 and r1 structures were determined. Both structures agree well with the calculated ab initio structure indicating that the carbon chain backbone is cumulenic, In addition, the two lowest hyperfine split transitions of HCCCO (N = 1 - 0 and 2 -1) have been measured with a Fourier transform microwave spectrometer. The frequencies, accurate to better than 0.20 km/s, should help guide future searches for interstellar HCCCO.

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Author Institution: Department of Chemistry, Wesleyan University; Harvard-Smithsonian Center for Astrophysics, Wesleyan University; Harvard-Smithsonian Center for Astrophysics, Wesleyan University; Division of Applied Sciences, Harvard University; Department of Chemnistry, University of Mississippi

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http://hdl.handle.net/1811/13736

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Abstracts of OSU International Symposium on Molecular Spectroscopy 1990-1999