Observation and analysis of v1+v3 and v1+2v4 bands of CF4 molecule

Infrared spectra of CF4 molecule were measured for three different temperatures in the range 2160- 2210 cm -1 using Fourier transform spectrometer. Non-empirical effective Hamiltonian obtained from the potential energy surface using the contact transformation method was used for the modeling of line positions. The origins of two bands v1 + v3 (F2) and v1 + 2v4 (F2) at 2186.97 and 2168.21 cm -1 were experimentally determined for the first time. The experimental origin of the weak v1 + 2v4 (E) sub-band was tentatively evaluated near 2169.84 cm -1. Ab initio line intensities were calculated from high order dipole moment surface by variational method using the TENSOR computational code in the normal mode representation. The analyses of experimental spectra were carried out using the MIRS program suite accounting for the full tetrahedral symmetry of the molecule. (c) 2023 Elsevier Ltd. All rights reserved.