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Vibration-rotation energy pattern in acetylene: 13CH12CH up to 6750 cm-1.

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Fayt, André [UCL] Robert, S. Di Lonardo, G. Fusina, L. Tamassia, F. Herman, M. [Université Libre de Bruxelles]

All known vibration-rotation absorption lines of 13CH12CH accessing levels up to 6750 cm-1 were gathered from the literature. They were fitted simultaneously to J-dependent Hamiltonian matrices exploiting the well known vibrational polyad or cluster block diagonalization, in terms of the pseudo-quantum-numbers Ns=v1+v2+v3 and Nr=5v1+3v2+5v3+v4+v5, and accounting also for l parity and ef symmetry properties. The anharmonic interaction coupling terms known to occur from a pure vibrational fit in this acetylene isotopologue [Robert et al., J. Chem. Phys. 123, 174302 (2005)] were included in the model. A total of 12 703 transitions accessing 158 different (v1v2v3v4v5,l4l5) vibrational states was fitted with a dimensionless standard deviation of 0.99, leading to the determination of 216 vibration-rotation parameters. The experimental data included very weak vibration-rotation transitions accessing 18 previously unreported states, some of them forming Q branches with very irregular patterns.

Document type Article de périodique (Journal article) – Journal Article
Publication date 2007
Journal information "Journal of Chemical Physics" - Vol. 126, no. 11, p. 114303 (2007)
Peer reviewed yes
Publisher American Institute of Physics ((United States) [New York, etc.])
issn 0021-9606
e-issn 1089-7690
Publication status Publié
Affiliation UCL
Links
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Bibliographic reference Fayt, André ; Robert, S. ; Di Lonardo, G. ; Fusina, L. ; Tamassia, F. ; et. al. Vibration-rotation energy pattern in acetylene: 13CH12CH up to 6750 cm-1.. In: Journal of Chemical Physics, Vol. 126, no. 11, p. 114303 (2007)
Permanent URL http://hdl.handle.net/2078.1/10906