X-ray emission spectroscopy (XES) at the threshold has been used to investigate the electronic structure of a microporous pure calcined zeolite with the crystal structure of the MFI-type framework (silicalite), a deboronated MFI zeolite (DB-MFI), a pure mesoporous cubic MCM-48 material, a MCM-48 loaded with copper and zinc oxide nanoparticles (-MCM-48), and a crystalline layered silicic acid H-RUB-18. For comparison, the XES spectrum of pure -quartz has also been recorded. In the nonresonant energy regime the XES spectra for all these compounds look very similar indicating that the electronic structure of the micro- and mesoporous silica materials is very similar to that of quartz. In the resonant regime, however, the spectra exhibit significant differences. In all the materials under study, the resonant XES spectra recorded at photon energies close to the positions of the edges show Raman-type inelastic peaks with an energy loss of , originating from electronic excitations within these insulating materials. The prominent features in the XES spectra of -quartz and H-RUB-18 are analyzed by means of quantum chemical ab initio cluster calculations.
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28 August 2008
Research Article|
August 29 2008
Comparison of the x-ray emission bands in micro- and mesoporous silica materials and in -quartz
O. Yu. Khyzhun;
O. Yu. Khyzhun
a)
1Lehrstuhl für Physikalische Chemie I,
Ruhr-Universität Bochum
, Universitätsstraße 150, D-44780 Bochum, Germany
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T. Strunskus;
T. Strunskus
b)
1Lehrstuhl für Physikalische Chemie I,
Ruhr-Universität Bochum
, Universitätsstraße 150, D-44780 Bochum, Germany
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Ch. Wöll;
Ch. Wöll
1Lehrstuhl für Physikalische Chemie I,
Ruhr-Universität Bochum
, Universitätsstraße 150, D-44780 Bochum, Germany
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H. Gies;
H. Gies
2Lehrstuhl für Kristallographie, Institut für Geologie, Mineralogie und Geophysik,
Ruhr-Universität Bochum
, Universitätsstraße 150, D-44780 Bochum, Germany
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V. Staemmler
V. Staemmler
3Lehrstuhl für Theoretische Chemie,
Ruhr-Universität Bochum
, Universitätsstraße 150, D-44780 Bochum, Germany
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J. Chem. Phys. 129, 084711 (2008)
Article history
Received:
May 22 2008
Accepted:
July 25 2008
Citation
O. Yu. Khyzhun, T. Strunskus, Ch. Wöll, H. Gies, V. Staemmler; Comparison of the x-ray emission bands in micro- and mesoporous silica materials and in -quartz. J. Chem. Phys. 28 August 2008; 129 (8): 084711. https://doi.org/10.1063/1.2972145
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