Photoelectron and far-ultraviolet spectra of CF3Br, CF2BrCl, and CF2Br2

Abstract

The Hei photoelectron and vacuum ultraviolet spectra up to about 20 eV of CF3Be, CF2Br2, and CF2BrCl have been measured. In both spectra, we find bands at energies lower than in the corresponding chlorine derivatives. Otherwise, the spectra can be interpreted along similar lines. The lowest ionization potentials and the lowest frequency bands in the ultraviolet spectra are due to transitions from the bromine lone pair orbitals.

Dissociative Ionization of Molecular CF2Br2 under 800 and 400 nm Intense Femtosecond Laser Fields

“…The intrinsic reaction coordinate (IRC) calculation of transition state was calculated at the same level. The ionization energy of molecule CF 2 Br 2 was calculated as 10.75 eV, which was in agreement with the previous experimental values 11.18 eV [24].…”

Reactions of H3O+ and H2O+ with Several Fully Halogenated Bromomethanes

“…Considering the other molecules of this study, an inspection of the photoelectron spectra of CF 2 BrCl, CFBr 3 , and CBrCl 3 shows that for these molecules there are no F−C accessible ionic states at the vertical recombination energy of H 2 O + . There is a partial match for CF 2 Br 2 . Charge transfer must again occur within an ion−molecule complex, and reaction is initiated by steps a and b of the mechanism.…”

Fast Dissociations of Halogenated Methanes: A Thermochemical Network

“…There is some ambiguity as to the adiabatic IE for CBrClF 2 . The TPES has been studied several times, and vertical ionization energies of 11.51 [41] and 11.83 eV [42] were reported. Another value for the IE is reported to be 11.21 eV, corresponding to the onset of the electron signal [43].…”