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Resonant and nonresonant x-ray scattering spectra of some poly(phenylenevinylene)s
Uppsala University.
Uppsala University.ORCID iD: 0000-0002-0317-0190
Uppsala University.
Uppsala University.
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1998 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 108, no 14, 5990-5996 p.Article in journal (Refereed) Published
Abstract [en]

The electronic structure of some poly(phenylenevinylene)s have been investigated by resonant and nonresonant x-ray inelastic scattering spectroscopies. The nonresonant as well as all resonant spectra for each polymer demonstrate benzene-like features, indicating a local character of the x-ray emission in which the phenyl ring acts as a building block. Theoretical simulations of x-ray energies and intensities taking the repeat unit as a model molecule of the polymer agree with the experimental spectra fairly well. The edges of the occupied bands have been identified in the nonresonant spectra of each polymer. By subtracting the emission energy of the highest occupied molecular orbital in the nonresonant spectrum from the core excitation energy in the resonant spectrum an alternative way to determine the optical band gap is obtained. As for free benzene the outer π band in the polymer spectra show a depletion of the emission going from the nonresonant to the resonant x-ray emission spectra. It is demonstrated that this transition, which is strictly symmetry forbidden for free benzene, becomes effectively forbidden in the polymer case as a result of strong interference effects, and it is argued that this is the general case for resonant x-ray emission of conjugated polymers as far as the frozen orbital approximation holds.

Place, publisher, year, edition, pages
1998. Vol. 108, no 14, 5990-5996 p.
Keyword [en]
Polymers, elastomers, and plastics, X-ray emission spectra and fluorescence, Electron density of states and band structure of crystalline solids
National Category
Natural Sciences
URN: urn:nbn:se:liu:diva-54988DOI: 10.1063/1.476011OAI: diva2:312915
Available from: 2010-04-26 Created: 2010-04-26 Last updated: 2013-10-02
In thesis
1. Electronic Structure Studies Using Resonant X-ray and Photemission Spectroscopy
Open this publication in new window or tab >>Electronic Structure Studies Using Resonant X-ray and Photemission Spectroscopy
1999 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

This thesis addresses the electronic structure of molecules and solids using resonant X-ray emission and photoemission spectroscopy. The use of monochromatic synchrotron radiation and the improved performance of the instrumentation have opened up the possibility of detailed analyses of the response of the electronic systems under interaction with X-rays. The experimental studies are accompanied by numerical ab initio calculations in the formalism of resonant inelastic scattering. The energy selectivity has made it possible for the first time to study how the chemical bonds in a molecule break up during resonant inelastic X-ray scattering. In the conjugated polymer systems, the element selectivity of the X-ray emission process made it possible to probe the different atomic elements separately. The X-ray emission technique proved to be useful for extracting isomeric information, and for measuring the change in the valence levels at different degrees of doping. In this thesis, spectral satellite features in transition metals were thoroughly investigated for various excitation energies around a core-level threshold. By measuring the relative spectral intensity of the satellites it was possible to extract information on the partial core-level widths. Using the nickel metal system as an example, it was shown that it is possible to probe the different core-excited states close toshake-up thresholds by measuring the relative spectral intensity variation of the Auger emission.Resonant photoemission measurements showed unambiguous evidence of interference effects. Theseeffects were also thoroughly probed using angle-dependent measurements. The combination of X-rayemission and absorption were useful for studying buried layers and interfaces due to the appreciable penetration depth of soft X-rays. X-ray scattering was further found to be useful for studying low-energy excited states of rare earth metallic compounds and transition metal oxides.

Place, publisher, year, edition, pages
Uppsala: Uppsala University, 1999
, Acta Universitatis Upsaliensis, ISSN 1104-232X ; 452
Electronic structure, resonant x-ray emission, photoemission spectroscopy
National Category
Physical Sciences
urn:nbn:se:liu:diva-56480 (URN)91-554-4463-6 (ISBN)
Public defence
Available from: 2010-05-19 Created: 2010-05-18 Last updated: 2013-11-14Bibliographically approved

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