Reassignment of the vibrational spectra of CHF2CH3 (HFC-152a), CF3CH3 (HFC-143a), CF3CHF2 (HFC-125), and CHCl2CF3 (HCFC-123)

High resolution FTIR spectroscopy of pentafluoroethane: perturbations in the Coriolis doublet of ν4 and ν13

“…The assignments in this study largely support the most recent assignments of Eltayeb et al [4] and Tai et al [5] A number of the band centres are now presented with improved accuracy as a result of our cooled spectra and the high resolution analysis of m 3 , m 4 , and m 13 . The main difference, however, concerns assignment of the weakest absorbing highest frequency C-F stretch mode, m 2 .…”

“…Nielsen et al [1] assigned 17 of the 18 fundamental vibrational modes using low resolution IR and Raman spectroscopy whilst Brown [2] reassigned the m 17 fundamental from 270 to 216 cm À1 and identified the 18th and final vibrational mode (torsional mode) at 74.2 cm À1 . More recently Compton and Rayner [3], Eltayeb et al [4], and Tai et al [5] have also used both IR and Raman spectroscopy to assign the 18 vibrational modes of R125 with some disagreement. Infrared absorption cross-sections and integrated absorption intensities of R125, used in global warming predictions, have been derived using low resolution FTIR spectroscopy [6].…”

Ab initio and kinetics study of hydrogen abstraction from 1,1-difluoroethane by hydroxyl radical

“…As the C2Á Á ÁH2 (or H4) bond further extends and ruptures, the product complex (PC2) emerges at the exit of the reaction pathways. The intermolecular structure of PC2 is characterized by the [30,31]. The number of imaginary frequencies (0 or 1) indicated whether a minimum or a transition state has been located.…”

The high-resolution, jet-cooled infrared spectrum of pentafluoroethane

“…The assignments from Eltayeb et al for the vibrations studied in this work are summarized in Table 1. Tai et al [11] also remeasured the infrared and Raman spectra and performed ab initio calculations using Gaussian92. Their calculated infrared and Raman intensities, as well as their experimental data, were used to confirm the assignments of Eltayeb et al [10].…”