Vibration-rotation spectra of 13C containing acetylene: anharmonic resonances

Venuti, E., Di Lonardo, G., Ferracuti, P., Fusina, L. and Mills, I. (1995) Vibration-rotation spectra of 13C containing acetylene: anharmonic resonances. Journal of Chemical Physics, 190 (2-3). pp. 279-290. ISSN 0301-0104 doi: 10.1016/0301-0104(94)00280-N

Abstract/Summary

High resolution vibration-rotation spectra of 13C2H2 were recorded in a number of regions from 2000 to 5200 cm−1 at Doppler or pressure limited resolution. In these spectral ranges cold and hot bands involving the bending-stretching combination levels have been analyzed up to high J values. Anharmonic quartic resonances for the combination levels ν1 + mν4 + nν5, ν2 + mν4 + (n + 2) ν5 and ν3 + (m − 1) ν4 + (n + 1) ν5 have been studied, and the l-type resonances within each polyad have been explicitly taken into account in the analysis of the data. The least-squares refinement provides deperturbed values for band origins and rotational constants, obtained by fitting rotation lines only up to J ≈ 20 with root mean square errors of ≈ 0.0003 cm−1. The band origins allowed us to determine a number of the anharmonicity constants xij0.