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Title: An Organometallic Building Block Approach To Produce a Multidecker 4f Single-Molecule Magnet
Authors: Le Roy, Jennifer J
Jeletic, Matthew
Gorelsky, Serge I
Korobkov, Ilia
Ungur, Liviu
Chibotaru, Liviu
Murugesu, Muralee # ×
Issue Date: 2013
Publisher: American Chemical Society
Series Title: Journal of the American Chemical Society vol:135 issue:9 pages:3502-3510
Abstract: An organometallic building block strategy was employed to investigate
the magnetic properties of a LnIII organometallic single-ion magnet (SIM) and
subsequent single-molecule magnet (SMM) after coupling two of the monomeric
units. New homoleptic DyIIICOT″2 and LnIII
2COT″3 (Ln = Gd, Dy) complexes have
been synthesized. DFT calculations of the bimetallic DyIII complex indicate strong
metal−ligand covalency and uneven donation to the DyIII ions by the terminal and
internal COT″2− (cyclooctatetraenide) rings that correlate with the respective bond
distances. Interestingly, the studies also point to a weak covalent interaction between
the metal centers, despite a large separation. The ac susceptibility data indicates that
both DyIIICOT″2 and DyIII
2COT″3 act as an SIM and an SMM, respectively, with
complex multiple relaxation mechanisms. Ab initio calculations reveal the direction of
the magnetic anisotropic axis is not perpendicular to the planar COT″ rings for both
DyIIICOT″2 and DyIII
2COT″3 complexes due to the presence of trimethylsilyl groups on the COT″ rings. If these bulky groups
are removed, the calculations predict reorientation of the anisotropic axis can be achieved.
ISSN: 0002-7863
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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