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

Séverine Robert (1) , Michel Herman (1) , Jean Vander Auwera (1) , Gianfranco Di Lonardo (2) , Luciano Fusina (2) , Ghislain Blanquet (3) , Muriel Lepère (3) , André Fayt (4)

1 Service de Chimie Quantique et Photophysique
2 UNIBO - Alma Mater Studiorum Università di Bologna = University of Bologna
3 Laboratoire de Spectroscopie Moléculaire
4 UCL - Université Catholique de Louvain = Catholic University of Louvain

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. 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 v5 = 1 ← v4 = 1 band observed in the far-infrared was estimated to be │μ_5←4│ = 0.55 D with 20 % accuracy, from absolute intensity measurements for a few Q-branch lines.

Mots clés: Physical Sciences

Séverine Robert, Michel Herman, Jean Vander Auwera, Gianfranco Di Lonardo, Luciano Fusina, et al.. The bending vibrations in 12C2H2 : Global vibration-rotation analysis. Molecular Physics, 2007, 105 (05-07), pp.559-568. ⟨10.1080/00268970601099261⟩. ⟨hal-00513059⟩