Back to Search Start Over

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

Authors :
G. Di Lonardo
Muriel Lepère
Séverine Robert
Luciano Fusina
Michel Herman
J. Vander Auwera
Ghislain Blanquet
André Fayt
Département d'Informatique [Bruxelles] (ULB)
Faculté des Sciences [Bruxelles] (ULB)
Université libre de Bruxelles (ULB)-Université libre de Bruxelles (ULB)
Service de Chimie Quantique et Photophysique
Université libre de Bruxelles (ULB)
Alma Mater Studiorum Università di Bologna [Bologna] (UNIBO)
Laboratoire de Spectroscopie Moléculaire
Fondation Universitaire Notre Dame de la Paix (FUNDP)
Facultés Universitaires Notre Dame de la Paix (FUNDP)
UCL
Université Catholique de Louvain = Catholic University of Louvain (UCL)
S. Robert
M. Herman
J. Vander Auwera
G. Di Lonardo
L. Fusina
G. Blanquet
M.Lepere
A. Fayt.
Source :
Molecular Physics, Molecular Physics, Taylor & Francis, 2007, 105 (13-14), pp.2009-2009. ⟨10.1080/00268970701499478⟩, Molecular Physics, Taylor & Francis, 2007, 105 (05-07), pp.559-568. ⟨10.1080/00268970601099261⟩
Publication Year :
2007
Publisher :
HAL CCSD, 2007.

Abstract

International audience; 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 │μ5←4│ = 0.55 D with 20 % accuracy, from absolute intensity measurements for a few Q-branch lines.

Details

Language :
English
ISSN :
00268976 and 13623028
Database :
OpenAIRE
Journal :
Molecular Physics, Molecular Physics, Taylor & Francis, 2007, 105 (13-14), pp.2009-2009. ⟨10.1080/00268970701499478⟩, Molecular Physics, Taylor & Francis, 2007, 105 (05-07), pp.559-568. ⟨10.1080/00268970601099261⟩
Accession number :
edsair.doi.dedup.....b3f4704d0bbfb69b91c8577e01de3602
Full Text :
https://doi.org/10.1080/00268970701499478⟩