Improved spectroscopic line list of methyl chloride in the 1900-2600 cm−1 spectral region

- Relative intensities of CH3Cl are theoretically modeled in the 1900-2600 cm−1spectral region.
- 3659 experimental line intensities of 12CH335Cl were modeled with 7.4% rms.
- 2586 experimental line intensities of 12CH337Cl were modeled with 6.6% rms.
- The list of calculated positions and intensities at 296 K is provided.

Parameters of line positions and line intensities up to 2×10-25 cm−1/(molecule cm−2) for 12CH335Cl and 12CH337Cl were retrieved from the Fourier transform spectra in the range of 1900-2600 cm−1. Line intensities were scaled with measurements from literature. Measured line positions and intensities were treated using global effective Hamiltonian and dipole moment model. The RMS of intensity fitting was 7.4% for 12CH335Cl and 6.6% for 12CH337Cl. List of positions and intensities were calculated for 22,098 and 21,014 lines between 1900 and 2600 cm−1 for 12CH335Cl and 12CH337Cl, respectively. Updated intensities allow extending assignments. The new line list of positions and intensities for both isotopologues in this spectral region was calculated. The calculations from the line list of this work have been compared with values from the HITRAN2012 database and PNNL spectra.