Title: Significant Enhancement of Energy Barriers in Dinuclear Dysprosium Single-Molecule Magnets Through Electron-Withdrawing Effects
Authors: Habib, Fatemah
Brunet, Gabriel
Vieru, Veaceslav
Korobkov, Ilia
Chibotaru, Liviu
Murugesu, Muralee # ×
Issue Date: 2013
Publisher: American Chemical Society
Series Title: Journal of the American Chemical Society vol:135 pages:13242-13245
Abstract: The effect of electron-withdrawing ligands
on the energy barriers of Single-Molecule Magnets
(SMMs) is investigated. By introducing highly electronwithdrawing
atoms on targeted ligands, the energy barrier
was significantly enhanced. The structural and magnetic
properties of five novel SMMs based on a dinuclear {Dy2}
phenoxo-bridged motif are explored and compared with a
previously studied {Dy2} SMM (1). All complexes share
the formula [Dy2(valdien)2(L)2]·solvent, where H2valdien
= N1,N3-bis(3-methoxysalicylidene) diethylenetriamine,
the terminal ligand L = NO3
− (1), CH3COO− (2),
C l C H 2 C O O − ( 3 ) , C l 2 C H CO O− ( 4 ) ,
− (6), and
solvent = 0.5 MeOH (4), 2 CH2Cl2 (5). Systematic
increase of the barrier was observed for all complexes with
the most drastic increase seen in 6 when the acac ligand of
5 was fluorinated resulting in a 7-fold enhancement of the
anisotropic barrier. Ab initio calculations reveal more axial
g tensors as well as higher energy first excited Kramers
doublets in 4 and 6 leading to higher energy barriers for
those complexes.
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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