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Energy splittings resulting from anisotropy and exchange interactions in the dimer of single-molecule magnets [Mn4O3Cl4(O2CEt)3(py)3]2•8MeCN are determined for both an undeuterated and a partially deuterated sample using inelastic neutron scattering. The antiferromagnetic (AF) exchange coupling between the two Mn4 aubunits strongly depends on their separation. The Cl•••Cl distance between the two subunits can be modified either by exchanging the solvent of crystallization or by deuteration of the C-H•••Cl hydrogen bonds, The exchange of acetonitrile for n-hexane leads to a five times greater shortening of the CI•••Cl separation than does full deuteration of all the hydrogen bonds. As a result, the AF exchange coupling constants between the subunits are 0.0073(4) and 0.0103-(9) meV in the samples with acetonitrile and n-hexane solvent molecules, respectively, in the crystal structure. On the other hand, the effect of C-H•••Cl deuteration on the AF exchange coupling is not detectable within the experimental accuracy of INS. [ABSTRACT FROM AUTHOR]

This article focuses on a study related to single-molecule magnet from ligand-induced structural distortion of a [MnIII3O]7+ complex. Single-molecule magnets are individual molecules that function as nanoscale magnetic particles. They derive their properties from the combination of a large ground-state spin and a magnetoanisotropy of the king-type. An ideal material for a white-light emitting intrinsic layer would be robust, emit over the entire visible spectrum, have high quantum efficiency, not suffer from self absorption, be easy to produce on a large scale, and not waste energy producing wavelengths beyond the visible spectrum.