Ionic fragmentation of deep core-level (Cl1s) excited chloroform molecule

Cationic and Anionic Fragmentation of Dichloromethane following Inner-Shell (Cl 1s) Photoexcitation

“…From the comparison of the present results with the ones previously reported for CHCl 3 16 and CH 3 Cl, 30 we note that the production of singly charged atomic fragments H + , Cl + , and C + is common to all molecules. As for the molecular ions, despite the possibility of forming species such as CCl + , CH + , and HCl + (rearrangement) singly charged fragments, none have been observed for all three molecules upon Cl 1s excitation, which is an indication of the different fragmentation pathways associated with these molecules.…”

“…The structures observed above the Cl 1s ionization edge indicated by C have been attributed mainly to contributions from doubly excited states, as also observed for small chlorine-containing molecules, 28 but some contribution from shape resonances may also be expected. The total ion yield spectrum of CH 2 Cl 2 differs from those reported for the CHCl 3 16 and CCl 4 29 molecules. One additional peak, which is not clearly observed in Figure 1, located in a corresponding position between peaks A and B, is on the other hand clearly observed for both CHCl 3 and CCl 4 molecules.…”

“…As for the molecular ions, despite the possibility of forming species such as CCl + , CH + , and HCl + (rearrangement) singly charged fragments, none have been observed for all three molecules upon Cl 1s excitation, which is an indication of the different fragmentation pathways associated with these molecules. and C 2+ atomic fragments have not been detected in a previous study for the chloroform molecule, 16 albeit the C 2+ fragment has also been observed on and above the Cl 1s resonance in the ion-coincidence spectra of CH 3 Cl. 30 It is interesting to observe the striking differences in the spectra presented in Figure 3 for atomic fragments, mostly formed at the main resonance, in contrast to the molecular fragments which exhibit strong features above the ionization threshold, indicating that these fragments are formed via distinct decay mechanisms.…”

“…Furthermore, from a fundamental viewpoint, the investigation of the photoionization and fragmentation processes involving halogenated compounds have also attracted recent experimental and theoretical interest as a result of the variety of dissociation channels and species which can be identified upon absorption of VUV and X-ray photons. [14][15][16][17][18][19][20] This work is dedicated to the study of the cationic and anionic photoinduced fragmentation of the CH 2 Cl 2 molecule using ion yield spectroscopy, time-of-flight mass spectrometry (TOF-MS) in the electron-ion coincidence modes (PEPICO and PEPI-…”

Deep-core photoabsorption and photofragmentation of tetrachloromethane near the Cl K-edge

“…In a previous study, a very similar spectrum was obtained for the related molecule, chloroform or CHCl 3 , around the Cl K-edge. 22 The colored areas represent a multi-peak least squares fit utilizing Voigt functions for the 4 below-threshold resonances described below, with the Gaussian portion fixed to the known resolution of the beamline. A Gaussian was used to represent the first above threshold feature and a step function (atan) to describe the ionization threshold.…”