Please use this identifier to cite or link to this item: https://doi.org/10.1039/c3sc53044b
Title: Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation
Authors: Pedersen, Kasper S
Ungur, Liviu 
Sigrist, Marc
Sundt, Alexander
Schau-Magnussen, Magnus
Vieru, Veacheslav
Mutka, Hannu
Rols, Stephane
Weihe, Hogni
Waldmann, Oliver
Chibotaru, Liviu F
Bendix, Jesper
Dreiser, Jan
Keywords: Science & Technology
Physical Sciences
Chemistry, Multidisciplinary
Chemistry
SPIN-LATTICE-RELAXATION
MOLECULE-MAGNET
LANTHANIDE COMPLEXES
CRYSTAL-STRUCTURE
STRUCTURAL-CHARACTERIZATION
PHOTOPHYSICAL PROPERTIES
ANISOTROPY BARRIER
FIELD ANALYSIS
MONONUCLEAR
MODEL
Issue Date: 1-Jan-2014
Publisher: ROYAL SOC CHEMISTRY
Citation: Pedersen, Kasper S, Ungur, Liviu, Sigrist, Marc, Sundt, Alexander, Schau-Magnussen, Magnus, Vieru, Veacheslav, Mutka, Hannu, Rols, Stephane, Weihe, Hogni, Waldmann, Oliver, Chibotaru, Liviu F, Bendix, Jesper, Dreiser, Jan (2014-01-01). Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation. CHEMICAL SCIENCE 5 (4) : 1650-1660. ScholarBank@NUS Repository. https://doi.org/10.1039/c3sc53044b
Abstract: We study the ligand-field splittings and magnetic properties of three ErIII single-ion magnets which differ in the peripheral ligand sphere but exhibit similar first coordination spheres by inelastic neutron scattering (INS) and SQUID magnetometry. The INS spectra of the three compounds are profoundly different pointing at a strong response of the magnetic behavior to minor structural changes, as they are e.g. encountered when depositing molecules on surfaces. The observation of several magnetic excitations within the J = 15/2 ground multiplet together with single-crystal magnetic measurements allows for the extraction of the sign and magnitude of all symmetry-allowed Stevens parameters. The parameter values and the energy spectrum derived from INS are compared to the results of state-of-the-art ab initio CASSCF calculations. Temperature-dependent alternating current (ac) susceptibility measurements suggest that the magnetisation relaxation in the investigated temperature range of 1.9 K < T < 5 K is dominated by quantum tunnelling of magnetisation and two-phonon Raman processes. The possibility of observing electron paramagnetic resonance transitions between the ground-state doublet states, which can be suppressed in perfectly axial single-ion magnets, renders the studied systems interesting as representations of quantum bits. © 2014 The Royal Society of Chemistry.
Source Title: CHEMICAL SCIENCE
URI: https://scholarbank.nus.edu.sg/handle/10635/228660
ISSN: 2041-6520
2041-6539
DOI: 10.1039/c3sc53044b
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