A photoelectron and double photoionization study of the valence electronic structure of 1,4-bromofluorobenzene.

Conventional photoelectron and time-of-flight photoelectron-photoelectron coincidence (TOF-PEPECO) spectra have been measured for the outer valence region of the 1,4-bromofluorobenzene molecule. The photoelectron spectra were recorded using HeI alpha radiation from a resonance source, and the TOF-PEPECO spectra were recorded using HeII alpha radiation from a pulsed resonance source. The former provide energies of the cationic states and the latter of the dicationic states. The spectra are adequately interpreted with the aid of accurate Green's function calculations, showing very significant correlation effects. The lowest double ionization energy is found at 23.45 eV associated with the (4b(1))(-2)X (1)A(1) dicationic state.

Double photoionization of thiophene and bromine-substituted thiophenes.

We report the double photoionization spectra of thiophene, 3-bromothiophene, and 3,4-dibromothiophene using a coincidence spectroscopy technique based on electron time-of-flight measurements. Spectra have been recorded between the onset and 40.814 eV using He IIalpha radiation. The He I photoelectron spectrum of 3,4-dibromothiophene has also been measured. All the spectra have been analyzed and interpreted in detail on the basis of theoretical simulations from accurate Green's function calculations.