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 Hela 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))X-2 (1)A(1) dicationic state.

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

correlated molecular calculations

gaussian-basis sets

double-ionization

greens-function

spectrum

photodissociation

propagator

dynamics

energy

Physics

Fysik

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