The bending vibrations in 12C2H2: global vibration–rotation analysis
作者： S. Robert** , M. Herman , J. Vander Auwera*** , G. Di Lonardo , L. Fusina
DOI: 10.1080/00268970601099261
关键词: Transition dipole moment 、 Standard deviation 、 Vibration 、 Atomic physics 、 Full data 、 Bending vibration 、 Optics 、 Hamiltonian (quantum mechanics) 、 Spectral line 、 Dimensionless quantity 、 Chemistry
摘要: A total of 3155 vibration–rotation line positions providing accurate information on all known states up to 3000 cm−1 in 12C2H2 were gathered from the literature. An additional 966 lines assigned new spectra. The full data set was simultaneously fitted using an appropriate Hamiltonian, with 85 refined parameters. dimensionless standard deviation equal 0.86, accounting for 92% lines, achieved. vibrational transition dipole moment υ5 = 1 ← υ4 = 1 band observed far-infrared estimated be |μ5←4| = 0.55 D 20% accuracy, absolute intensity measurements a few Q-branch lines.
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