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What Controls the Magnetic Interaction in bis-mu-Alkoxo MnIII Dimers? A Combined Experimental and Theoretical Exploration

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Title What Controls the Magnetic Interaction in bis-mu-Alkoxo MnIII Dimers? A Combined Experimental and Theoretical Exploration
 
Creator BERG, N
RAJESHKUMAR, T
TAYLOR, SM
BRECHIN, EK
RAJARAMAN, G
JONES, LF
 
Subject coordination complexes
density functional calculations
magneto-structural correlations
manganese
molecular magnetism
BINUCLEAR MANGANESE(III) COMPLEX
TRANSITION-METAL-COMPLEXES
SINGLE-MOLECULE MAGNETS
SPIN GROUND-STATE
EXCHANGE COUPLING-CONSTANTS
CATALASE-LIKE ACTIVITY
SCHIFF-BASE COMPLEX
GAUSSIAN-BASIS SETS
MAGNETOSTRUCTURAL CORRELATIONS
CRYSTAL-STRUCTURE
 
Description The synthesis and magnetic characterisation of a series of bis-mu-alkoxide bridged MnIII dinuclear complexes of general formula [MnIII2(mu-OR)2(biphen)2(ROH)x(L)y] (where R=Me, Et; H2biphen=2,2'-biphenol and L=terminally bonded N-donor ligand) is described, doubling the literature basis set for this type of complex. Building on these findings we have categorised all known mu-OR bridged MnIII dinuclear complexes into one of three classifications with respect to their molecular structures. We have then employed DFT and MO calculations to assess all potential magneto-structural correlations for this class of compound in order to identify the structural requirements for constructing ferromagnetic family members. Our analysis indicates that the most influential parameter which governs the exchange interaction in this class of compounds is the relative orientation of the JT axes of the MnIII atoms. A perpendicular orientation of the JT axes leads to a large ferromagnetic contribution to the exchange. These results also suggest that a large ferromagnetic interaction and a large anisotropy are unlikely to co-exist in such structural types.
 
Publisher WILEY-V C H VERLAG GMBH
 
Date 2014-10-17T04:51:11Z
2014-10-17T04:51:11Z
2012
 
Type Article
 
Identifier CHEMISTRY-A EUROPEAN JOURNAL, 18(19)5906-5918
http://dx.doi.org/10.1002/chem.201102828
http://dspace.library.iitb.ac.in/jspui/handle/100/15994
 
Language en