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Simultaneous Analysis of Rovibrational and Rotational Spectra of thev5= 1 andv8= 1 Vibrational Levels of Propyne

✍ Scribed by P. Pracna; J. Demaison; G. Wlodarczak; A. Lesarri; G. Graner

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
285 KB
Volume
177
Category
Article
ISSN
0022-2852

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✦ Synopsis

The microwave and submillimeter wave spectra of propyne between 17 and 358 GHz were measured and the rotational transitions in the £ 8 Å 1 excited vibrational state of the CH 3 rocking vibration were assigned. About 1050 wavenumbers of the n 8 vibration -rotation fundamental band and about 600 wavenumbers of the n 5 fundamental band of the C{C stretching vibration were assigned from the infrared spectrum between 910 and 1130 cm 01 which was used previously (G. Graner et al., J. Mol. Spectrosc. 161, 80 -101 (1993)) in the analysis of the combination £ 9 Å £ 10 Å 1 and the £ 10 Å 3 overtone levels (n 9 being the GC{H bending and n 10 the C{CGC 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 01 with their strong anharmonic and vibration -rotation resonances. The refined parameters reproduce the infrared and submillimeter wave data of the £ 5 Å 1 level with standard deviations of 0.32 1 10 03 cm 01 and 59 kHz, respectively, while for the £ 8 Å 1 level the standard deviations were 0.41 1 10 03 cm and 290 kHz. The refined parameters of the combination and overtone levels provide reliable predictions for future submillimeter wave studies.

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