Summary of the Project
The TMMagCat aims to judiciously design and synthesize the first-row transition metal complexes with the ambition to develop a new generation of single-molecular magnets and catalysts.
Single-molecular magnets have the potential for several technological applications, like ultrahigh-density information storage, spin-based electronics, and quantum computing. Transition metal complexes with appropriate characteristics are possible candidates for this application. On the other hand, these complexes respect the green-chemistry principles and can be used as a new generation of environmentally friendly, selective, and cheap catalysts.
Creating molecules with such properties requires a fundamental understanding of all the factors affecting their properties. The key to this molecular architecture is controlling the electronic structure of TM complexes. The electronic structure of TM complexes is responsible for their magnetism and, at the same time, determines their reactivity. The combination of experiments and modern computer methods will enable the achievement of project goals.
