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Neutron diffraction and theoretical DFT studies of two dimensional molecular-based magnet [K.sub.2][[Mn[([H.sub.2]O).sub.2].sub.3][[Mo[(CN).sub.7]].sub.2].6[H.sub.2]O
- Source :
- Inorganic Chemistry. Feb 19, 2007, Vol. 46 Issue 4, 1090-1099
- Publication Year :
- 2007
-
Abstract
- Theoretical Density Functional Theory calculations and neuron diffraction studies were used to investigate the exchange mechanisms and magnetic structure in the 2D cyano-bridged molecule based magnet [K.sub.2][[Mn[([H.sub.2]O).sub.2].sub.3][[Mo[(CN).sub.7]].sub.2].6[H.sub.2]O. Studies reveal the predominance of the spin polarization mechanism in the Mo-C-N-Mn sequence and the antiferromagnetic nature of the interaction is due to the overlap between the magnetic orbits relative to Mn and Mo in the cyano bridging region.
Details
- Language :
- English
- ISSN :
- 00201669
- Volume :
- 46
- Issue :
- 4
- Database :
- Gale General OneFile
- Journal :
- Inorganic Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.162082089