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Large Hexadecametallic {Mn-III-Ln(III)} Wheels: Synthesis, Structural, Magnetic, and Theoretical Characterization

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Title Large Hexadecametallic {Mn-III-Ln(III)} Wheels: Synthesis, Structural, Magnetic, and Theoretical Characterization
 
Creator VIGNESH, KR
LANGLEY, SK
MOUBARAKI, B
MURRAY, KS
RAJARAMAN, G
 
Subject SINGLE-MOLECULE MAGNETS
DISK-LIKE CLUSTERS
DYSPROSIUM TRIANGLES
GROUND-STATE
ION MAGNETS
RELAXATION
ANISOTROPY
COMPLEXES
PERSPECTIVE
EXCHANGE
ab initio calculations
exchange-coupling
Mn-Ln clusters
single-molecule magnets
wheel-shaped molecule
 
Description The synthesis, gas sorption studies, magnetic properties, and theoretical studies of new molecular wheels of core type {Mn(8)(III)Ln(8)(III)} (Ln=Dy, Ho, Er, Y and Yb), using the ligand mdeaH(2), in the presence of ortho-toluic or benzoic acid are reported. From the seven wheels studied the {Mn8Dy8} and {Mn8Y8} analogues exhibit SMM behavior as determined from ac susceptibility experiments in a zero static magnetic field. From DFT calculations a S=16 ground state was determined for the {Mn8Y8} complex due to weak ferromagnetic Mn-III-Mn-III interactions. Ab initio CASSCF+RASSI-SO calculations on the {Mn8Dy8} wheel estimated the Mn-III-Dy-III exchange interaction as -0.1cm(-1). This weak exchange along with unfavorable single-ion anisotropy of Dy-III/Mn-III ions, however, led to the observation of SMM behavior with fast magnetic relaxation. The orientation of the g-anisotropy of the Dy-III ions is found to be perpendicular to the plane of the wheel and this suggests the possibility of toroidal magnetic moments in the cluster. The {Mn(8)Ln(8)} clusters reported here are the largest heterometallic Mn(III)Ln(III) wheels and the largest {3d-4f} wheels to exhibit SMM behavior reported to date.
 
Publisher WILEY-V C H VERLAG GMBH
 
Date 2016-01-14T10:33:43Z
2016-01-14T10:33:43Z
2015
 
Type Article
 
Identifier CHEMISTRY-A EUROPEAN JOURNAL, 21(46)16364-16369
0947-6539
1521-3765
http://dx.doi.org/10.1002/chem.201503424
http://dspace.library.iitb.ac.in/jspui/handle/100/17370
 
Language en