Alkali-metal oxides. II. Unoccupied and excited states

E. Bertel; N. Memmel; W. Jacob; V. Dose; F. P. Netzer; G. Rosina; G. Rangelov; G. Astl; N. Rösch; P. Knappe; B. I. Dunlap; H. Saalfeld

doi:10.1103/PhysRevB.39.6087

Alkali-metal oxides. II. Unoccupied and excited states

E. Bertel, N. Memmel, W. Jacob, V. Dose, F. P. Netzer, G. Rosina, G. Rangelov, G. Astl, N. Rösch, P. Knappe, B. I. Dunlap, H. Saalfeld

Associate Professorship of Theoretical Chemistry (2008 — 2024)

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23 Scopus citations

Abstract

The unoccupied electronic levels of NaO2 and KO2 have been probed by inverse photoemission. In addition, excitation spectra of various core and valence levels have been recorded with use of x-ray absorption spectroscopy and electron-energy-loss spectroscopy. Results from a linear combination of Gaussian-type orbitals X (LCGTO-X) model cluster study and photoemission data previously reported give a coherent and detailed description of ground- and excited-state properties of the alkali-metal superoxides. This description includes molecular and crystal-field effects, excitonic properties of the excited states, and electron-hole correlation energies as well as transition-matrix-element effects.

Original language	English
Pages (from-to)	6087-6095
Number of pages	9
Journal	Physical Review B
Volume	39
Issue number	9
DOIs	https://doi.org/10.1103/PhysRevB.39.6087
State	Published - 1989

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10.1103/PhysRevB.39.6087

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abstract = "The unoccupied electronic levels of NaO2 and KO2 have been probed by inverse photoemission. In addition, excitation spectra of various core and valence levels have been recorded with use of x-ray absorption spectroscopy and electron-energy-loss spectroscopy. Results from a linear combination of Gaussian-type orbitals X (LCGTO-X) model cluster study and photoemission data previously reported give a coherent and detailed description of ground- and excited-state properties of the alkali-metal superoxides. This description includes molecular and crystal-field effects, excitonic properties of the excited states, and electron-hole correlation energies as well as transition-matrix-element effects.",

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T1 - Alkali-metal oxides. II. Unoccupied and excited states

AU - Bertel, E.

AU - Memmel, N.

AU - Jacob, W.

AU - Dose, V.

AU - Netzer, F. P.

AU - Rosina, G.

AU - Rangelov, G.

AU - Astl, G.

AU - Rösch, N.

AU - Knappe, P.

AU - Dunlap, B. I.

AU - Saalfeld, H.

PY - 1989

Y1 - 1989

N2 - The unoccupied electronic levels of NaO2 and KO2 have been probed by inverse photoemission. In addition, excitation spectra of various core and valence levels have been recorded with use of x-ray absorption spectroscopy and electron-energy-loss spectroscopy. Results from a linear combination of Gaussian-type orbitals X (LCGTO-X) model cluster study and photoemission data previously reported give a coherent and detailed description of ground- and excited-state properties of the alkali-metal superoxides. This description includes molecular and crystal-field effects, excitonic properties of the excited states, and electron-hole correlation energies as well as transition-matrix-element effects.

AB - The unoccupied electronic levels of NaO2 and KO2 have been probed by inverse photoemission. In addition, excitation spectra of various core and valence levels have been recorded with use of x-ray absorption spectroscopy and electron-energy-loss spectroscopy. Results from a linear combination of Gaussian-type orbitals X (LCGTO-X) model cluster study and photoemission data previously reported give a coherent and detailed description of ground- and excited-state properties of the alkali-metal superoxides. This description includes molecular and crystal-field effects, excitonic properties of the excited states, and electron-hole correlation energies as well as transition-matrix-element effects.

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VL - 39

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JO - Physical Review B

JF - Physical Review B

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ER -

Alkali-metal oxides. II. Unoccupied and excited states

Abstract

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