Gas-phase Raman spectra of hot bands of fundamentals and combinations associated with the torsional vibration of s-trans-1,3-butadiene and its deuterated isotopologues |
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Authors: | Praveenkumar Boopalachandran Jaan Laane |
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Affiliation: | a Department of Chemistry, Texas A&M University, College Station, TX 77843-3255, United States b Department of Chemistry & Biochemistry, Oberlin College, Oberlin, OH 44074, United States |
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Abstract: | The gas-phase Raman spectra of 1,3-butadiene and its 2,3-d2, 1,1,4,4-d4, and d6 isotopologues have been recorded with high sensitivity and resolution of 0.7 cm−1. Hot band series of fundamentals and combinations involving the ν13 torsional vibration of the s-trans rotamer have been observed for each of the isotopologues. Modes studied were ν10 (CH wag), ν12 (CH2 twist), ν10 + ν12, ν15 (CH2 wag) + ν16 (CH2 twist), and ν23 (CH2 rock) + ν24 (CCC deformation). The spacings of the quantum states of the torsional contribution were found to decrease with additional excitation of this mode (ν13) in the upper vibrational states except for the ν23 + ν24 combination state. |
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Keywords: | 1,3-Butadiene Gas-phase Raman spectra Combination bands Hot bands Internal rotation |
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