High-resolution far-infrared spectroscopy and analysis of the [formula omitted] and [formula omitted] bands of chloromethane

Abstract

Ro-vibrational spectra of the ν3 and ν6 bands of chloromethane (CH3Cl) were recorded in the 650–1130 cm−1 range using a Fourier transform spectrometer at the AILES beamline of the SOLEIL synchrotron facility. Two isotopologues (CH335Cl and CH337Cl) have been analyzed with the tensorial formalism developed in Dijon and a total of 6753 lines were assigned. We derived 23 tensorial parameters for the lines positions (4 for the ground state, 6 for ν3, and 13 for ν6), and 7 for the lines intensities (4 for ν3, 3 for ν6). From those parameters and self-broadening coefficients found in the literature, we simulated spectra of both isotopologues. The derived parameters were converted in the Watson formalism to be compared with a previous study. Using these results, we set up a new database of calculated chloromethane spectral lines (ChMeCaSDa).