Infrared spectroscopy of 17O- and 18O-enriched carbon dioxide: Line positions and intensities in the 3200–4700 cm−1 region. Global modeling of the line positions of 16O12C17O and 17O12C17O

Abstract

The line positions and intensities of carbon dioxide isotopologues have been retrieved in 3200–4700cm−1 region from Fourier transform spectra of carbon dioxide recorded in LADIR (Paris, France) with the Bruker IFS 125-HR [Jacquemart D et al. J Quant Spectrosc Radiat Trans 2012;113:961–75]. In total 11318 line positions and intensities of 151 bands of 12 isotopologues 16O12C16O, 16O13C16O, 16O12C18O, 16O12C17O, 16O13C18O, 16O13C17O, 18O12C18O, 17O12C18O, 18O13C18O, 17O12C17O, 17O13C18O, and 17O13C17O have been retrieved. 53 bands were newly assigned. All studied bands belong to the ΔP=5 and ΔP=6 series of transitions, where P=2V1+V2+3V3 is the polyad number (Vi are the vibrational quantum numbers). The accuracy of the line position measurement is about 0.3×10−3cm−1 for the unblended and not very weak lines. The accuracy of the line intensities varies from 4% to 15% depending on the isotopologue, on the intensity of the line and on the extent of the line overlapping. The spectroscopic constants for the majority of the observed bands have been derived. The observed line positions together with those collected from the literature were used to fit the effective Hamiltonian parameters for the 16O12C17O and 17O12C17O isotopologues. In both cases the fitted models were capable of reproducing the measured line positions with accuracy compatible with the measurement uncertainties (rms are 0.0011cm−1 and 0.0009cm−1 for 16O12C17O and 17O12C17O, respectively). The observed intensities were used to fit the effective dipole moment parameters for the ΔP=5 and ΔP=6 series of transitions of 16O12C17O, 17O12C17O and 16O12C18O isotopologues of carbon dioxide.