The bending vibrations in 12C2H2: global vibration-rotation analysis: Global vibration-rotation analysis

S. Robert, M. Herman, Jean Vander Auwera, G. Di Lonardo, L. Fusina, G. Blanquet, M. Lepere, A. Fayt

Research output: Contribution to journalArticle

Abstract

A total of 3155 vibration-rotation line positions providing accurate information on all known vibration-rotation states up to 3000 cm-1 in 12C2H2 were gathered from the literature. An additional 966 lines were assigned on new spectra. The full data set was simultaneously fitted using an appropriate Hamiltonian, with 85 refined parameters. A dimensionless standard deviation equal to 0.86, accounting for 92% of the lines, was achieved. The vibrational transition dipole moment of the 5 = 1 4 = 1 band observed in the far-infrared was estimated to be |μ5←4| = 0.55 D with 20% accuracy, from absolute intensity measurements for a few Q-branch lines.
Original languageEnglish
Pages (from-to)559-568
Number of pages10
JournalMolecular physics
Volume105
Issue number5-7
DOIs
Publication statusPublished - 1 Mar 2007

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