Influence of the supramolecular architecture on the magnetic properties of a Dy^III single-molecule magnet: an ab initio investigation

• Julie Jung,
• Olivier Cador,
• Kevin Bernot,
• Fabrice Pointillart,
• Javier Luzon and
• Boris Le Guennic

Beilstein J. Nanotechnol. 2014, 5, 2267–2274, doi:10.3762/bjnano.5.236

• transferable into single-molecule devices. Keywords: ab initio calculations; dysprosium; magnetic properties; single-molecule magnets; supramolecular effects; Introduction At the molecular level, single-molecule magnets (SMMs) can be seen as magnets in which the magnetic information relies on the magnetic

• ]. The easiest way to evidence these supramolecular effects is to design a diamagnetic solid solution in which the sample is present at a doping level [3][4][5][6][7][8][9][10][11][12]. The investigation of such sample shows drastic differences from the bulk and highlights that a “single-molecule” when

• SMM in which supramolecular effects impact the magnetic properties is investigated on the basis of single-crystal angular-resolved magnetometry and ab initio calculations. Results and Discussion We have focused our investigation on two DyIII-based complexes that were reported by some of us recently