Perfluoro effects in the occupied and virtual valence orbitals of hexafluorobenzene

The complete valence shell photoelectron spectrum of hexafluorobenzene has been recorded with synchrotron radiation and the observed structure has been interpreted using ab initio ionization energies and relative spectral intensities. The theoretical predictions for the single-hole ionic states due...

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Veröffentlicht in:	Journal of physics. B, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2007-07, Vol.40 (14), p.2939-2959
Hauptverfasser:	Decleva, P, Stener, M, Holland, D M P, Potts, A W, Karlsson, L
Format:	Artikel
Sprache:	eng
Schlagworte:	Ab initio calculations Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Fysik Ionization potentials, electron affinities, molecular core binding energy Molecular properties and interactions with photons NATURAL SCIENCES NATURVETENSKAP Photoelectron spectra Physics Properties of molecules and molecular ions
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