Simultaneous Analysis of Rovibrational and Rotational Spectra of thev5= 1 andv8= 1 Vibrational Levels of Propyne |
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| Institution: | 1. Univ. Grenoble Alpes, CNRS, LIPhy, 38000 Grenoble, France;2. Laboratory of Quantum Mechanics of Molecules and Radiative Processes, Tomsk State University, 36 Lenin Avenue, 634050 Tomsk, Russia;3. Laboratory of Theoretical Spectroscopy of IAO SB RAN, av. 1, Akademician Zuev square, 634021 Tomsk, Russia;4. GSMA, UMR CNRS 7331, Université de Reims Champagne Ardenne, Moulin de la Housse, BP 1039 - 51687 Reims Cedex 2, France;1. V.E. Zuev Institute of Atmospheric Optics, Russian Academy of Sciences, 1, Akademichesky Avenue, 634055 Tomsk, Russian Federation;2. Groupe de Spectrométrie Moléculaire et Atmosphérique, UMR CNRS 6089, Université de Reims, U.F.R. Sciences, B.P. 1039, 51687 Reims Cedex 2, France;3. AILES Beamline, Synchrotron SOLEIL, L''Orme des Merisiers, St-Aubin BP48, F-91192 Gif-sur-Yvette Cedex, France.;4. Sorbonne Université, CNRS, MONARIS, UMR 8233, 4 place Jussieu, Paris, France;5. Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109, USA;6. QUAMER,Tomsk State University, 36 Lenin Avenue, 634050 Tomsk, Russian Federation |
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| Abstract: | The microwave and submillimeter wave spectra of propyne between 17 and 358 GHz were measured and the rotational transitions in thev8= 1 excited vibrational state of the CH3rocking vibration were assigned. About 1050 wavenumbers of the ν8vibration–rotation fundamental band and about 600 wavenumbers of the ν5fundamental band of theformula]stretching vibration were assigned from the infrared spectrum between 910 and 1130 cm−1which was used previously (G. Graneret al., J. Mol. Spectrosc.161,80–101 (1993)) in the analysis of the combinationv9=v10= 1 and thev10= 3 overtone levels (ν9being theformula]bending and ν10theformula]bending vibrations). The rovibrational and rotational data corresponding to the two fundamental levels were analyzed simultaneously in least-squares fits using a model which treats together all the vibrational levels in the region around 1000 cm−1with their strong anharmonic and vibration–rotation resonances. The refined parameters reproduce the infrared and submillimeter wave data of thev5= 1 level with standard deviations of 0.32 × 10−3cm−1and 59 kHz, respectively, while for thev8= 1 level the standard deviations were 0.41 × 10−3cm and 290 kHz. The refined parameters of the combination and overtone levels provide reliable predictions for future submillimeter wave studies. |
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