Infrared frequency comb spectroscopy of CH2I2: Influence of hot bands and pressure broadening on the ν1 and ν6 fundamental transitions

Direct frequency comb spectroscopy was utilized to measure the vibrational absorption spectrum of diiodomethane, CH2I2, from 2960 to 3125 cm(-1). The data were obtained using a CH2I2 concentration of (6.8 +/- 1.3) x 10(15) molecule cm(-3) and a total pressure of 10-300 mbar with either nitrogen or argon as the bath gas. The rovibrational spectra of two fundamental transitions, nu(6) and nu(1), were recorded and analyzed. We suggest that a significant contribution to the observed congested spectra is due to the population in excited vibrational states of the low energy nu(4) I-C-I bend, resulting in transitions 6(0)(1)4(n)(n) and 1(0)(1)4(n)(n), where the integer n is the initial vibrational level v = 1-5. PGOPHER was used to fit the experimental spectrum, allowing for rotational constants and other spectral information to be reported. In addition, it was found that the peak widths for the observed transitions were limited by pressure broadening, resulting in a pressure broadening parameter of (0.143 +/- 0.006) cm(-1) atm(-1) by N-2 and (0.116 +/- 0.006) cm(-1) atm(-1) by Ar. Further implications for other dihaloalkane infrared spectra are discussed. (C) 2022 Author(s).

Automated summary

Direct frequency comb spectroscopy was used to measure the vibrational absorption spectrum of diiodomethane. The study revealed that the congested spectra were primarily a result of population in excited vibrational states. The experimental spectrum was fitted, providing rotational constants and other spectral information. Additionally, pressure broadening was found to limit the peak widths of the observed transitions.