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• W2007000336 abstract "State-resolved reactions of CH3D molecules containing both C−H and C−D stretching excitation with Cl atoms provide new vibrational spectroscopy and probe the consumption and disposal of vibrational energy in the reactions. The vibrational action spectra have three different components, the combination of the C−H symmetric stretch and the C−D stretch (ν1 + ν2), the combination of the C−D stretch and the C−H antisymmetric stretch (ν2 + ν4), and the combination of the C−D stretch and the first overtone of the CH3 bend (ν2 + 2ν5). The simulation for the previously unanalyzed (ν2 + ν4) state yields a band center of ν0 = 5215.3 cm−1, rotational constants of A = 5.223 cm−1 and B = 3.803 cm−1, and a Coriolis coupling constant of ζ = 0.084. The reaction dynamics largely follow a spectator picture in which the surviving bond retains its initial vibrational excitation. In at least 80% of the reactive encounters of vibrationally excited CH3D with Cl, cleavage of the C−H bond produces CH2D radicals with an excited C−D stretch, and cleavage of the C−D bond produces CH3 radicals with an excited C−H stretch. Deviations from the spectator picture seem to reflect mixing in the initially prepared eigenstates and, possibly, collisional coupling during the reaction." @default.
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• W2007000336 date "2008-08-05" @default.
• W2007000336 modified "2023-10-16" @default.
• W2007000336 title "Reaction Dynamics and Vibrational Spectroscopy of CH₃D Molecules with Both C−H and C−D Stretches Excited" @default.
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• W2007000336 doi "https://doi.org/10.1021/jp803901p" @default.
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