title: Comprehensive Spectroscopic Determination of the Crystal Field Splitting in an Erbium Single-Ion Magnet.
abstract: The electronic structure of a novel lanthanide-based single-ion magnet, {C(NH2)3}5[Er(CO3)4]·11H2O, was comprehensively studied by means of a large number of different spectroscopic techniques, including far-infrared, optical, and magnetic resonance spectroscopies. A thorough analysis, based on crystal field theory, allowed an unambiguous determination of all relevant free ion and crystal field parameters. We show that inclusion of methods sensitive to the nature of the lowest-energy states is essential to arrive at a correct description of the states that are most relevant for the static and dynamic magnetic properties. The spectroscopic investigations also allowed for a full understanding of the magnetic relaxation processes occurring in this system. Thus, the importance of spectroscopic studies for the improvement of single-molecule magnets is underlined.
authors.affiliation: Institut für Physikalische Chemie, Universität Stuttgart , Pfaffenwaldring 55, D-70569 Stuttgart, Germany.
authors.forename: Yvonne
authors.initials: Y
authors.lastname: Rechkemmer
authors.affiliation: Institut für Physikalische Chemie, Universität Stuttgart , Pfaffenwaldring 55, D-70569 Stuttgart, Germany.
authors.forename: Julia E
authors.initials: JE
authors.lastname: Fischer
authors.affiliation: Institut für Physikalische Chemie, Universität Stuttgart , Pfaffenwaldring 55, D-70569 Stuttgart, Germany.
authors.forename: Raphael
authors.initials: R
authors.lastname: Marx
authors.affiliation: Institut für Physikalische Chemie, Universität Stuttgart , Pfaffenwaldring 55, D-70569 Stuttgart, Germany.
authors.forename: María
authors.initials: M
authors.lastname: Dörfel
authors.affiliation: Institut für Physikalische Chemie, Universität Stuttgart , Pfaffenwaldring 55, D-70569 Stuttgart, Germany.
authors.forename: Petr
authors.initials: P
authors.lastname: Neugebauer
authors.affiliation: Department of Physics and Astronomy, University of Canterbury , Christchurch 8140, New Zealand.
authors.forename: Sebastian
authors.initials: S
authors.lastname: Horvath
authors.affiliation: Institut für Physikalische Chemie, Universität Stuttgart , Pfaffenwaldring 55, D-70569 Stuttgart, Germany.
authors.forename: Maren
authors.initials: M
authors.lastname: Gysler
authors.affiliation: Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.
authors.forename: Theis
authors.initials: T
authors.lastname: Brock-Nannestad
authors.affiliation: Institut für Organische Chemie, Universität Stuttgart , Pfaffenwaldring 55, D-70569 Stuttgart, Germany.
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Frey
authors.affiliation: Department of Physics and Astronomy, University of Canterbury , Christchurch 8140, New Zealand.
authors.forename: Michael F
authors.initials: MF
authors.lastname: Reid
authors.affiliation: Institut für Physikalische Chemie, Universität Stuttgart , Pfaffenwaldring 55, D-70569 Stuttgart, Germany.
authors.forename: Joris
authors.initials: J
authors.lastname: van Slageren