The 2ν1 + 5ν3 Triad of 12CO2

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

“…The ability of the obtained sets of parameters in predicting the line positions of unmeasured transitions has been discussed in Refs. (5)(6)(7)(8) and this predicting ability has been found very good. The eigenfunctions of the effective Hamiltonians have been used for line intensity fittings (2,3).…”

13C16O2: Global Treatment of Vibrational–Rotational Spectra and First Observation of the 2ν1 + 5ν3 and ν1 + 2ν2 + 5ν3 Absorption Bands

“…The aim of the fitting procedure was to minimize the weighted standard deviation defined according to the usual formula [7] where N is the number of fitted values and n is the number of adjusted parameters. For testing the predictive abilities of the model of the effective Hamiltonian, we have performed three fittings.…”

Variational Calculations of Rovibrational Energies for CO2

“…The most recent global fittings of this type for the CO 2 molecule and its isotopomers have been carried out by Tashkun et al (3,13,14), and they have been found to be very useful in predicting a number of unmeasured rovibrational transitions of the molecule (1,2,5,7,15). The effective Hamiltonians used in these global treatments of the CO 2 vibrational-rotational spectra are extended versions of the work originally developed by Chedin using perturbation theory with algebraic contact transformations (16).…”

“…It is also possible to extract the potential energy function of the molecule from the spectroscopic information by using this perturbative methodology. Chedin in his first paper (16) and in a second with Teffo (17) thus determined a potential energy function for CO 2 expressed as a Simons et al expansion (18) from a large quantity of rovibrational data belonging to several isotopic species. Very recently Mardis and Sibert (19) have used this technique to refine the ab initio force field computed by Martin et al (20) for this molecule.…”

“…Recent experimental studies of the spectra of this molecule include the observation of combination overtone transitions of the 12 C 16 O 2 and 13 C 16 O 2 species in the near-infrared (11 700 -14 200 cm Ϫ1 ) by intracavity laser absorption spectroscopy (ICLAS) (1,2) and by photoacoustic spectroscopy (PS) (3,4), and the measurement of CO 2 emission lines in the 4 -5 and 13-18 m spectral regions by Fourier transform spectroscopy (FTS) from CH 4 ϩ O 2 low-pressure flames (5,6) and from CO 2 ϩ N 2 mixtures excited by dc discharges (7)(8)(9)(10)(11)(12).…”