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Spin maximization: switching of the usual S=11 state of [Mn.sup.II.sub.4][Mn.sup.III.sub.3] disklike complexes to the maximum S = 16

Authors :
Stamatatos, Theocharis C.
Poole, Katye M.
Foguet-Albiol, Dolos
Abboud, Khalil A.
O'Brien, Ted A.
Christou, George
Source :
Inorganic Chemistry. August 4, 2008, Vol. 47 Issue 15, 6593-6595
Publication Year :
2008

Abstract

The density functional theory calculations were used to explore the S=11 ground states of the [Mn.sup.7] family of mixed-valence complexes with a metal-centered hexagonal topology. The topology was observed to arise by spin frustration involving small differences in the magnitudes of the two weakest interactions controlling the alignment of the central spin which lead to formation of complex with maximum S = 16 ground state.

Details

Language :
English
ISSN :
00201669
Volume :
47
Issue :
15
Database :
Gale General OneFile
Journal :
Inorganic Chemistry
Publication Type :
Academic Journal
Accession number :
edsgcl.184616759