It has long been recognized that metal spin states play a central role in the reactivity of important biomolecules, in industrial catalysis and in spin crossover compounds. The latter offer many exciting possibilities for novel, switchable materials with applications in computer storage and display devices. Elucidating the role and effect of different spin states on the properties of a system is presently one of the most challenging endeavours both from an experimental and theoretical point-of-view.
In this ECOSTBio Action we create a network of both experimental and theoretician research groups that will tackle a diversity of chemical problems where spin is an important factor. This will be achieved by the joint creation of a SPINSTATE database of systems with known spin states and spin-related properties. This freely accessible database will be of great benefit for the scientific community at large, and will lead to scientific and technological advances. Based on it we will exert explicit control of spin states of transition-metal compounds through rational design of ligand coordination. The interactions of theorists and experimentalists will create a synergy, helping theoreticians to validate their models and experimentalists to improve the performances of novel materials with desired properties.
spin-states - theoretical and computational chemistry - metal-oxo complexes - spin-crossover compounds - magnetism
