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High resolution X-ray photoelectron spectroscopy on nitrogen molecules
KTH, School of Biotechnology (BIO), Theoretical Chemistry.
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2009 (English)Article, review/survey (Refereed) Published
Abstract [en]

This paper summarizes recent developments for experimental and theoretical studies on core-level photoelectron spectroscopy of N-2. Analysis of experimental spectra reveals that the 1 sigma(g) and 1 sigma(u) core-hole states differ in energy by similar to 100 meV and in equilibrium bond length by similar to 0.04 pm, in agreement with ab initio predictions. The ratio of the 1 sigma(g) and 1 sigma(u) photoionization cross sections measured in the photon energy range up to 1 keV reveals oscillatory structure due to two-center interference, equivalent to Young's double-slit experiment, as Cohen and Fano predicted. The experimental Auger rates for the transition to the dicationic ground state are found to be different by a factor of two for 1 sigma(g) and 1 sigma(u) hole states and are well reproduced by the ab initio calculations. All these findings support the delocalized picture of the core hole. Discussion is given how many-body processes involved and observations for these processes affect the observation of the localized and/or delocalized core hole.

Place, publisher, year, edition, pages
2009. Vol. 169, 95-107 p.
Keyword [en]
core-level photoemission, vibrationally resolved photoionization, photochemistry beamline bl27su, absorption fine-structure, k-shell, photoionization, partial cross-sections, double-slit, shape-resonance, auger decay, 2-center interference
URN: urn:nbn:se:kth:diva-18289DOI: 10.1140/epjst/e2009-00978-7ISI: 000264560900015ScopusID: 2-s2.0-65649130863OAI: diva2:336335
QC 20100525Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2011-02-04Bibliographically approved

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Gel'mukhanov, Faris
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Theoretical Chemistry

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