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Disorder effects in Mn(12)-acetate at 83 K
Andrea Cornia1, Antonio Costantino Fabretti, Roberta Sessoli
1Dipartimento di Chimica e INSTM, Università di Modena e Reggio Emilia, Via G. Campi 183, I-41100 Modena, Italy. acornia@unimo.it
Summary
The crystal structure of the molecular nanomagnet Mn(12)-acetate was refined using X-ray diffraction. Hydrogen bonding with acetic acid solvent molecules disrupts its symmetry, leading to potential Mn(12) isomers in the crystal lattice.
Area of Science:
- Inorganic Chemistry
- Materials Science
- Nanotechnology
Background:
- Mn(12)-acetate is a well-known molecular nanomagnet.
- Previous structural information on Mn(12)-acetate was limited.
- Understanding the precise structure is crucial for its magnetic properties.
Purpose of the Study:
- To determine the detailed crystal structure of Mn(12)-acetate.
- To investigate the influence of solvent molecules on the cluster structure.
- To identify potential structural variations within the crystal lattice.
Main Methods:
- X-ray diffraction at 83 K.
- Crystallographic analysis.
- Structural refinement.
Main Results:
- The structure of hexadeca-mu-acetato-tetraaquadodeca-mu(3)-oxo-dodecamanganese bis(acetic acid) tetrahydrate, [Mn(12)O(12)(CH(3)COO)(16)(H(2)O)(4)] x 2CH(3)COOH x 4H(2)O, was determined.
- The S(4) molecular symmetry is disrupted by hydrogen bonding with disordered acetic acid solvent molecules.
- Up to six Mn(12) isomers, differing in solvent arrangement, may exist in the crystal lattice.
Conclusions:
- The study provides enhanced structural information on the Mn(12)-acetate nanomagnet.
- Hydrogen bonding significantly impacts the molecular structure and symmetry.
- The presence of multiple isomers has implications for the material's properties and future research.