Photoelectron spectra of halides. Part 6.—The spectra of SF₅Cl, BrF₅and IF₅

Vacuum Ultraviolet Negative Photoion Spectroscopy of SF5Cl

“…8 The state-selected fragmentation dynamics of the electronic states of SF 5 Cl + has been studied by threshold photoelectron photoion coincidence spectroscopy. 7 This publication also reported results from a Gaussian 03 calculation 9 which supported the MO assignments made by Klyagina et al 8 Figure 1 summarises the combined findings of these investigations, and correlates the MOs for SF 5 Cl with those of SF 6 of O h symmetry. While the ordering of the valence MOs in for SF 6 is well established, 10 we note that the ordering and assignments given for SF 5 Cl are based on more limited evidence.…”

“…7 This publication also reported results from a Gaussian 03 calculation 9 which supported the MO assignments made by Klyagina et al 8 Figure 1 summarises the combined findings of these investigations, and correlates the MOs for SF 5 Cl with those of SF 6 of O h symmetry. While the ordering of the valence MOs in for SF 6 is well established, 10 we note that the ordering and assignments given for SF 5 Cl are based on more limited evidence. The kinetics and ionic products of the reactions of a large number of small cations with SF 5 Cl have been studied in a selected ion flow tube.…”

“…18 In this paper, we report the first study of ion-pair formation in SF 5 Cl following tunable VUV photoexcitation in the range 10−30 eV from a synchrotron. It continues our earlier study on SF 5 -containing molecules, SF 6 and SF 5 CF 3 . 19 Cross sections for anion production are put onto an absolute scale by calibration of the signals with that of F − from SF 6 and CF 4 , 2,20 but quantum yields for their production cannot be determined because there are no reported values of the total absorption cross section in this region of the VUV.…”

“…There have only been two photoelectron studies of this molecule, one using fixed-energy He I and He II resonance lines 6 and one using tunable vacuum-UV (VUV) photons coupled with threshold electron detection. 7 The relative ordering of the valence molecular orbitals (MO) has been calculated using selfconsistent discrete variational Xα methods.…”

“…There have been many investigations of the ion chemistry of sulfur hexafluoride, SF 6 , involving production of cations, anions, and chemical reactions, [1][2][3] but relatively few of the derivative molecule sulfur chloropentafluoride, SF 5 Cl. The structure of SF 5 Cl, C 4v symmetry in the gas phase, has been established by microwave spectroscopy 4 and electron diffraction.…”