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The vibration-rotation spectrum of C2HD: new overtone bands and global vibrational analysis |
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| Authors: | M Herman C Depiesse A Fayt D Hurtmans M Mollabashi |
| Institution: | a Service de Chimie quantique et Photophysique CP160/09, Université Libre de Bruxelles, Av. Roosevelt, 50, Bruxelles B-1050, Belgium b Dipartimento di Chimica Fisica e Inorganica, Università di Bologna, Viale Risorgimento, 4, Bologna I-40136, Italy c Laboratoire de Spectroscopie Moléculaire, Université Catholique de Louvain, Chemin du Cyclotron, 2, Louvain-La-Neuve B-1438, Belgium d Laboratoire de Spectrométrie Physique (associated with CNRS UMR C5588), Université Joseph Fourier de Grenoble, B.P. 87, Saint-Martin-d’Hères Cedex F-38402, France e Physics Faculty, Iran University of Science and Technology, P.O. 16844, Narmak, Tehran, Islamic Republic of Iran |
| Abstract: | Two new bands, 2ν1+ν2+ν3+2ν5 and 5ν3 with origin at 12220.692 and 12496.158 cm−1, respectively, were identified on new FT-ICLAS spectra of 12C2HD and rotationally analyzed. The rotational analysis of two known bands, with origin at 12038.538 and 12234.872 cm−1 was extended. Another band, 2ν1+2ν5 with origin at 7843.6622 cm−1, was identified for the first time and rotationally analyzed, from a high pressure conventional FT spectrum. Some 115 known vibrational state energies in the molecule, extending up to the visible range, were used to produce updated vibrational constants. Both a straightforward Dunham model and a global model accounting for a single anharmonic resonance, K1/255, were used. The results are discussed. |
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