ROTATIONAL SPECTRUM OF 1,3-BUTADIENE-1,1,-$d_{2}$

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1988

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Ohio State University

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The pure rotational spectrum of s-trans 1,3-butadiene-$1.1-d_{2}$ has been observed with a pulsed microwave Fourier transform spectrometer between 12-18 GHz. Both $\mu_{a}-$ and $\mu_{b}-$type transitions with J between 2 and 41 have been assigned. Rotational constants and quartic centrifugal distortion constants have been determined in a least squares fit from the measured transition frequencies. Some transitions of a vibrationally excited state were also observed. The molecule is planar as judged from the inertial defect. The molecular structure from ab initio calculations has been adjusted slightly to the measured rotational constants. During the search for rotational transitions of the s-trans conformer no indication was found for the presence of a second higher energy conformer as in the isoelectronic molecules acrolein and glyoxal. This failure to detect a second conformer was attributed to a small electric dipole moment and a large energy difference to the s-trans conformer.

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Author Institution: Dipartimento di Chimica Fisica ed Inorganica, Universita di Bologna; Laboratorium f\""{u}r Physikalische Chemie, Eidgen\""{o}ssische Technische Hochschule

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