Edge profiles in K shell photoabsorption spectra of gaseous hydrides of 3p elements and homologues

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...

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Bibliographic Details
Published in:Radiation Physics and Chemistry
Main Authors: Hauko, Robert, Padežnik Gomilšek, Jana, Kodre, Alojz, Arčon, Iztok, Aquilanti, Giuliana
Format: Other/Unknown Material
Language:English
Published: 2017
Subjects:
X-ray absorption spectra
gaseous hydrides
3p K-edge spectra
DFT
rentgentski žarki
absorpcijski spekter
plinski hidridi
fotoabsorpcija
Orca
Online Access:http://repozitorij.ung.si/IzpisGradiva.php?id=3217
https://plus.si.cobiss.net/opac7/bib/20594454?lang=sl
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Summary: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.

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