11.
Edge profiles in K shell photoabsorption spectra of gaseous hydrides of 3p elements and homologuesRobert Hauko,
Jana Padežnik Gomilšek,
Alojz Kodre,
Iztok Arčon,
Giuliana Aquilanti, izvirni znanstveni članek
Opis: Photoabsorption spectra of gaseous hydrides of 3p elements (PH3, H2S, HCl) are measured in the energy region of
photoexcitations pertaining to K edge. The analysis of the edge profile is extended to hydrides of 4p series (GeH4,
AsH3, H2Se, HBr) from an earlier experiment, and to published spectra of 2p hydrides (CH4, NH3, H2O, HF) and
noble gases Ar, Kr and Ne and SiH4. The edge profiles are modelled with a linear combination of lorentzian
components, describing excitations to individual bound states and to continuum. Transition energies and
probabilities are also calculated in the non-relativistic molecular model of the ORCA code, in good agreement
with the experiment. Edge profiles in the heavier homologues are closely similar, the symmetry of the molecule
governs the transitions to the lowest unoccupied orbitals. In 2p series the effect of the strong nuclear potential
prevails. Transitions to higher, atomic-like levels remain very much the same as in free atoms.
Ključne besede: X-ray absorption spectra, gaseous hydrides, 3p K-edge spectra, DFT
Objavljeno v RUNG: 23.08.2017; Ogledov: 3623; Prenosov: 0
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