Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9770172 | Journal of Molecular Structure | 2005 | 9 Pages |
Abstract
Butadiene-1-13C1 was synthesized, and its high-resolution (0.002Â cmâ1) infrared spectrum was recorded for several bands in the mid-infrared region. A complete analysis of the rotational structure in the C-type band at 524.485Â cmâ1 for CH2 twisting and a partial analysis of the rotational structure in the C-type bands at 900.0 and 909Â cmâ1 were performed. Of these latter two bands, which are of comparable intensity, the higher frequency one is largely CH2 out-of-plane wagging and the lower frequency one is largely 13CH2 out-of-plane wagging. Taken together these bands correlate with one infrared-active au fundamental and one Raman-active bg fundamental of butadiene. The ground state rotational constants are A=1.3887919 (6), B=0.1436683 (3), and C=0.1302251 (3)Â cmâ1, and upper state rotational constants are reported for the bands at 524.485 and 900.0Â cmâ1. Medium resolution infrared and Raman spectra gave a complete assignment of the vibrational fundamentals, including 11 fundamentals observed directly for the first time.
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Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Norman C. Craig, Keith A. Hanson, Michael C. Moore, Robert L. Sams,