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Global Fittings of the Vibrational–Rotational Line Positions of the 16O12C17O and 16O12C18O Isotopic Species of Carbon Dioxide

✍ Scribed by S.A. Tashkun; V.I. Perevalov; J.-L. Teffo

Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
119 KB
Volume
210
Category
Article
ISSN
0022-2852

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✦ Synopsis

The effective operator approach is applied to the calculation of the line positions of two isotopic species, 16 O 12 C 17 O and 16 O 12 C 18 O, of the carbon dioxide molecule. More than 6600 observed line positions of 72 bands of 16 O 12 C 18 O selected from the literature have been used to derive 73 parameters of a reduced effective Hamiltonian globally describing all vibration-rotation energy levels in the ground electronic state. The dimensionless weighted standard deviation of the fit is 2.15 and the RMS (root-mean-square) deviation is 0.00134 cm -1 . In the case of 16 O 12 C 17 O about 1800 line positions of 30 bands also taken from the literature have been used to derive 45 parameters of a reduced effective Hamiltonian. The dimensionless weighted standard deviation of the fit in this case is 1.63 and the RMS deviation is 0.00129 cm -1 . The quality of the fittings and the extrapolation properties of the fitted parameters are discussed. A comparison of calculated line positions with those provided by the HITRAN and GEISA databases is given.

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