Andrew Farrell and colleagues have conducted the first ever ultra-low temperature (2K) study of the crystal structure of the single molecule magnet, [Mn12OAc], [Mn12O12(O2CMe)16(H2O)4]•4H2O•2MeCO2H. This is the temperature where the molecule exhibits its most interesting properties.
Using a combination of single crystal X-ray diffraction and neutron diffraction, they were able to provide a better model of the molecular structure and to explain the special quantum properties of the single molecule magnet. A study of the species with the solvents removed also yielded further clues to the nature of the disorder in the solvated species.
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Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder
Andrew R. Farrell, Jonathan A. Coome, Michael R. Probert, Andres E. Goeta, Judith A. K. Howard, Marie-Helene Lemee-Cailleau, Simon Parsons and Mark Murrie
CrystEngComm, 2013, Advance Article