Global fitting of line intensities of acetylene molecule in the infrared using the effective operator approach

Autor: J.-Y. Mandin, O.M. Lyulin, J.-L. Teffo, C. Claveau, V.I. Perevalov, V. Dana, D. Jacquemart, Alain Valentin
Rok vydání: 2003
Předmět:
Zdroj: Journal of Molecular Spectroscopy. 218:180-189
ISSN: 0022-2852
DOI: 10.1016/s0022-2852(02)00090-5
Popis: The method of effective operators has been applied to the global fitting of line intensities of the acetylene molecule in the middle infrared. Simultaneous fittings of recently observed line intensities in the cold and hot bands lying in the 13.6, 7.8, and 5 μm regions have been performed. The eigenfunctions of the effective Hamiltonian developed for the global treatment of the vibration–rotation line positions of acetylene [O.M. Lyulin, V.I. Perevalov, S.A. Tashkun, J.-L. Teffo, in: Leonid N. Sinitsa (Ed.), 13th Symposium and School on High Resolution Molecular Spectroscopy, Proceedings of SPIE, vol. 4063, 2000, pp. 126–133] have been used in the calculations. The sets of effective dipole moment parameters obtained reproduce the observed line intensities within the experimental accuracy. The importance of l -type resonance, responsible for some large differences between intensities of the same lines in subbands having opposite parities, is exhibited and discussed.
Databáze: OpenAIRE