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- W2034982590 abstract "The 2,3-13C2 isotopomer of butadiene was synthesized, and its fundamental vibrational fundamentals were assigned from a study of its infrared and Raman spectra aided with quantum chemical predictions of frequencies, intensities, and Raman depolarization ratios. For two C-type bands in the high-resolution (0.002 cm−1) infrared spectrum, the rotational structure was analyzed. These bands are for ν11 (au) at 907.17 cm−1 and for ν12 (au) at 523.37 cm−1. Ground state and upper state rotational constants were fitted to Watson-type Hamiltonians with a full quartic set of centrifugal distortion constants and two sextic ones. For the ground state, A0 = 1.3545088(7) cm−1, B0 = 0.1469404(1) cm−1, and C0 = 0.1325838(2) cm−1. The small inertial defects of butadiene and two 13C2 isotopomers, as well as for five deuterium isotopomers as previously reported, confirm the planarity of the s-trans rotamer of butadiene." @default.
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- W2034982590 date "2006-02-01" @default.
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- W2034982590 title "Analysis of rotational structure in the high-resolution infrared spectrum and assignment of vibrational fundamentals of butadiene-2,3-13C2" @default.
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- W2034982590 doi "https://doi.org/10.1016/j.jms.2005.11.002" @default.
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