The low-lying bending vibration system ?7 of OCCCS observed at Doppler-limited resolution

Year: 1996

Authors: Wagener V., Winnewisser M., Bellini M.

Autors Affiliation: Physikalisch-Chemisches Institut, Justus-Liebig-Univ. Giessen, Heinrich-Buff-Ring 58, D-35 392 Giessen, Germany; Europ. Lab. Nonlinear Spectrosc., Largo Enrico Fermi, 2, I-50125 Florence, Italy

Abstract: Parts of the gas-phase spectrum of the linear cumulene-type molecule tricarbon oxide sulfide, OCCCS, were recorded in the region of its lowest-lying CCC bending vibration ?7 around 2.4 THz. The Doppler-limited spectrum was obtained at low temperatures using a tunable far-infrared spectrometer. In addition, the rotational spectrum was recorded between 78 and 118 GHz with microwave techniques at room temperature. The analysis of 412 rotational transition frequencies obtained during this and previous work allowed us to assign 71 resolved rovibrational transitions of the ?7 band system in the far-infrared region. They are distributed among 16 subbands of the fundamental band and the first three hotbands. The center of the fundamental band was found to be at 2 325 894.20(30) MHz. Forty-five spectroscopic constants describing the vibrational states ?7 = 0, . . . , 4 were obtained by fitting all data simultaneously to an effective Hamiltonian for polyatomic linear molecules. The anharmonicity coefficient x0 77 of the bending vibration was found to be only -0.2% of the harmonic frequency w0 7, which was determined to be w0 7 = 2 320 995(13) MHz.

Journal/Review: JOURNAL OF MOLECULAR SPECTROSCOPY

Volume: 176 (2)      Pages from: 425  to: 438

More Information: Verband der Chemischen Industrie, VCI. Deutsche Forschungsgemeinschaft, DFG. – The authors thank B. P. Winnewisser, J. Preußer, and J. W. G. Seibert for many helpful comments during the analysis of the data and for critically reading the manuscript. R. Wilmes and J. Preußer are thanked for preparing the precursor. V. Wagener thanks all members of LENS for the friendly collaboration which led to the success of his stay there. Part of this work was supported by the Deutsche Forschungsgemeinschaft, the Fonds der Chemischen Industrie, the Max-Planck-Research Award, and the European Community.
DOI: 10.1006/jmsp.1996.0104

Citations: 3
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