Interference quenching of a certain final vibrational state in resonant X-ray photoemission: A method to obtain geometrical information on the core-excited state

An interference quenching of the m = 1 final state vibrational line in the resonant Auger decay of N 1s* core-excited N2 is observed and analyzed. The intensity ratio between the m = 1 and m = 0 vibrational levels of the X 2 final state shows a surprising nonmonotonic variation as a function of frequency detuning, going through a minimum with a complete suppression of m = 1. We have developed a simple model which indicates a linear relation between the value of the detuning frequency for this minimum and the equilibrium bond distance of the core-excited state. This implies the possibility of determining the equilibrium bond distances for core-excited states to a high degree of accuracy. Simultaneously with the simple model we present a strict theory of the studied effect. This strict theory allows us to explore the accuracy of determining the bond length of the core-excited state from resonant Auger spectra. We obtain a weak influence of the core-hole lifetime on the determined bond length, whereas the number of intermediate vibrational states accounted for in the numerical simulations seems to be quite important.

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Source ISSN: 1050-2947
Author Baev, A., Feifel, R., Gel'Mukhanov, F., Agren, H., Piancastelli, M.N., Bässler, M., Miron, C., Sorensen, S.L., Naves de Brito, A., Björneholm, O., Karlsson, L., Svensson, S.
Maintainer CCSD
Last Updated May 6, 2026, 18:38 (UTC)
Created May 6, 2026, 18:38 (UTC)
Identifier hal-00094522
Language en
contributor Theoretical Chemistry ; KTH Royal Institute of Technology [Stockholm] (KTH)
creator Baev, A.
date 2003-05-06T00:00:00
harvest_object_id b3b875f6-1b22-4c1a-9bfa-b658cde4858b
harvest_source_id 3374d638-d20b-4672-ba96-a23232d55657
harvest_source_title test moissonnage SELUNE
metadata_modified 2024-04-11T00:00:00
relation info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevA.67.022713
set_spec type:ART