Final Activity Report Summary - MAGNETX (Crystal Engineering of Molecular Magnets)
The social issues of molecular magnets are numerous. The aim of the development of molecular magnetic materials is to have novel magnetic materials for future applications in information process and storage. An interesting issue is also the possibility to have multifunctional materials by, for example, combining magnetism with optical properties. This research field is very active and comes closer and closer to applications but still requires strong basic research, in particular for the increase the Curie temperature of the MBM and the blocking temperature of the SMM. From the chemical point of view the rational assembling of the magnetic precursors, called spin carriers, into an assembly exhibiting spontaneous magnetisation is still a real challenge. From the physical and theoretical chemistry point of views there is a need for understanding the fine interplay between the electronic structure, the crystal structure and the physical properties.
The work performed during the fellowship mainly concerned theoretical calculations to understand the magneto-structural relationships and the nature of the magnetic interactions in such systems. In order to do this, Dr Y. Chumakov based his calculations on X-ray crystallographic investigations. Spin density mapping by polarised neutron diffraction was also performed in relation with this work. Among important project results was the establishment of the magneto-structural correlation in two-dimensional manganese(II)-radical layered compounds and the rationalisation of the pressure effect in magneto-luminescent compounds.