The vibrational spectrum and normal coordinate analysis of chlorodifluoromethane, CHClF2

Analysis of the High-Resolution FT-IR and Millimeter-Wave Spectra of the ν5= 1 State of CHF2Cl

“…Moreover, its IR spectrum has been studcarbons (HFCs), which contain no chlorine at all. The re-ied at medium resolution (15,16), yielding the band centers placement HCFC and HFC compounds contain at least one for the fundamentals and a number of overtone and combina-C-H bond, which facilitates their reaction with tropospheric tion vibrations as well as hot bands and harmonic and anhar-OH (1), resulting in their decomposition. If their production monic constants.…”

“…It a necessity. To this purpose, a spectroscopic study of HCFC-may be regarded mainly as CF 2 scissor bending motion with 22 has been chosen as a major topic in the frame of the an admixture of CF stretching motion (15).…”

Diode Laser Jet Spectra and Analysis of the ν3 and ν8 Fundamentals of CHF2Cl

“…The chlorine isotopic shifts ( 35 Cl-37 Cl) of ν 3 and ν 8 are assumed to be very small (about 0.0-0.1 cm −1 ) (20). We assumed similar changes in the rotational constants ( A, B, and C) for both isotopic species, and also a similar Coriolis coupling parameter ξ a between ν 3 and ν 8 , in order to predict possible CHF 2 37 Cl transitions.…”

“…All fundamental bands have been identified from low resolution infra red (20,21) and Raman spectra (20). Accurate spectroscopic parameters for the low-lying fundamentals ν 6 , ν 9 and ν 5 have been obtained from micro wave and millimeter wave data (22)(23)(24).…”

Adsorbate–substrate interaction between chlorodifluoromethane and titanium dioxide: Infrared spectroscopy and density functional theory studies

“…% refers to the percentage deviation with respect to the optimized isolated molecule. c %exp is the percentage deviation with respect to the experimental values[19].…”