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Fluoride-Bridged {Gd-III M-3(III) (2)} ( M= Cr, Fe, Ga) Molecular Magnetic Refrigerants**

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Title Fluoride-Bridged {Gd-III M-3(III) (2)} ( M= Cr, Fe, Ga) Molecular Magnetic Refrigerants**
 
Creator PEDERSEN, KS
LORUSSO, G
MORALES, JJ
WEYHERMULLER, T
PILIGKOS, S
SINGH, SK
LARSEN, D
SCHAU-MAGNUSSEN, M
RAJARAMAN, G
EVANGELISTI, M
BENDIX, J
 
Subject density functional calculations
fluoride ligands
lanthanides
magnetic properties
magnetic refrigeration
METAL-ORGANIC FRAMEWORK
COMPLEXES
CLUSTER
CAGES
 
Description The reaction of fac-[(MF3)-F-III(Me(3)tacn)]xH(2)O with Gd(NO3)(3)5H(2)O affords a series of fluoride-bridged, trigonal bipyramidal {(Gd3M2III)-M-III} (M=Cr (1), Fe (2), Ga (3)) complexes without signs of concomitant GdF3 formation, thereby demonstrating the applicability even of labile fluoride-complexes as precursors for 3d-4f systems. Molecular geometry enforces weak exchange interactions, which is rationalized computationally. This, in conjunction with a lightweight ligand sphere, gives rise to large magnetic entropy changes of 38.3Jkg(-1)K(-1) (1) and 33.1Jkg(-1)K(-1) (2) for the field change 7T0T. Interestingly, the entropy change, and the magnetocaloric effect, are smaller in 2 than in 1 despite the larger spin ground state of the former secured by intramolecular Fe-Gd ferromagnetic interactions. This observation underlines the necessity of controlling not only the ground state but also close-lying excited states for successful design of molecular refrigerants.
 
Publisher WILEY-V C H VERLAG GMBH
 
Date 2014-12-28T12:49:19Z
2014-12-28T12:49:19Z
2014
 
Type Article
 
Identifier ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 53(9)2394-2397
1433-7851
1521-3773
http://dx.doi.org/10.1002/anie.201308240
http://dspace.library.iitb.ac.in/jspui/handle/100/16602
 
Language English