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- W2089276271 abstract "The infrared gaseous spectrum of CD3CD3 has been measured in the range of 530–670cm−1 to investigate vibration—torsion effects in the ν9 band. Three separate spectra all taken under different experimental conditions were recorded. The lines with (ΔK = −1) and with high values of K show torsional splittings that are substantially larger than expected from the observed barrier height. These splittings are caused primarily by Coriolis-type interactions between the torsional stack of ν9 = 1 and the corresponding stack for the ground vibrational state. Because of a near-degeneracy that exists between the states (ν9 = 0, ν4 = 3) and (ν9 = 1, ν4 = 0), three subbands (K, σ) = (15,1), (16,2), (17,3) are resonantly perturbed. For these cases, perturbation-allowed 3ν4 torsional transitions have been identified. Here σ= 0, 1, 2 or 3 labels the torsional sublevels. Measurements from the ν9 and 3ν4 bands, frequencies from the far-infrared torsional spectra in the ground vibrational state, and lower state combination differences from the ν9 + ν4 − ν4 band were fitted to within experimental uncertainty using an effective Hamiltonian which considered three torsional stacks; one for the ground vibrational state and two for ν9 = 1. In all, 22 parameters were determined using a total of 2001 lines. Of these, three parameters were the interstack couplings, eight are from the ground vibrational state and 11 are from the excited vibrational state. Two barrier-dependent torsion—rotation parameters, which were essential for obtaining a satisfactory fit, were calculated by ab initio methods." @default.
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- W2089276271 date "2003-07-20" @default.
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- W2089276271 title "A frequency analysis of the ν9 band of CD<sub>3</sub>CD<sub>3</sub>: experiment and <i>ab initio</i> calculations" @default.
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- W2089276271 doi "https://doi.org/10.1080/0026897031000112451" @default.
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