title: Correlation of the structural information obtained for europium-chelate ensembles from gas-phase photoluminescence and ion-mobility spectroscopy with density-functional computations and ligand-field theory.
abstract: We report a combined investigation of europium(iii)9-oxo-phenalen-1-one (PLN) coordination complexes, [Eu(PLN)4AE]+with AE = Mg, Ca, and Sr, using gas-phase photoluminescence, trapped ion-mobility spectrometry and density-functional computations. In order to sort out the structural impact of the alkali earth dications on the photoluminescence spectra, the experimental data are compared to the predicted ligand-field splittings as well as to the collision cross-sections for different isomers of [Eu(PLN)4AE]+. The best fitting interpretation is that one isomer family predominantly contributes to the recorded luminescence. The present work demonstrates the complexity of the coordination patterns of multicenter lanthanoid chelates involved in dynamical equilibria and the pertinence of using isolation techniques to elucidate their photophysical properties.
authors.affiliation: Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany. jean-francois.greisch@kit.edu michael.harding@kit.edu.
authors.forename: Jean-François
authors.identifier: http://orcid.org/0000-0002-0761-8191
authors.initials: JF
authors.lastname: Greisch
authors.affiliation: Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 2, 76131 Karlsruhe, Germany.
authors.forename: Jiří
authors.initials: J
authors.lastname: Chmela
authors.affiliation: Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany. jean-francois.greisch@kit.edu michael.harding@kit.edu.
authors.forename: Michael E
authors.initials: ME
authors.lastname: Harding
authors.affiliation: Bruker Daltonik GmbH, Fahrenheitstraße 4, 28359 Bremen, Germany. dirk.wunderlich@bruker.com.
authors.forename: Dirk
authors.initials: D
authors.lastname: Wunderlich
authors.affiliation: Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany. jean-francois.greisch@kit.edu michael.harding@kit.edu.
authors.forename: Bernhard
authors.identifier: http://orcid.org/0000-0002-8007-6261
authors.initials: B
authors.lastname: Schäfer
authors.affiliation: Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany. jean-francois.greisch@kit.edu michael.harding@kit.edu and Institut de Physique et Chimie des Matériaux de Strasbourg (IPCMS), CNRS-Université de Strasbourg, Rue du Loess 23, BP 43, 67034 Strasbourg Cedex 2, France.
authors.forename: Mario
authors.initials: M
authors.lastname: Ruben
authors.affiliation: Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany. jean-francois.greisch@kit.edu michael.harding@kit.edu and Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 2, 76131 Karlsruhe, Germany.
authors.forename: Wim
authors.initials: W
authors.lastname: Klopper
authors.affiliation: Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany. jean-francois.greisch@kit.edu michael.harding@kit.edu and Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 2, 76131 Karlsruhe, Germany.
authors.forename: Detlef
authors.initials: D
authors.lastname: Schooss
authors.affiliation: Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany. jean-francois.greisch@kit.edu michael.harding@kit.edu and Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 2, 76131 Karlsruhe, Germany.
authors.forename: Manfred M
authors.initials: MM
authors.lastname: Kappes