PROJECT AREA B Theory & Structure

The overarching goals of project area B are the application of theoretical and experimental methods that were largely developed in the previous funding periods to study the (opto)electronic, polaritonic and structural properties of N-heteropolycycles. They will be developed further to describe open-shell systems as well as their non-linear optical and magneto-optical properties. Methods for the investigation of chiral N-heteropolycycles will be expanded to achieve a fundamental understanding of their chiroptical properties and potential chirality-induced spin selectivity effects. The obtained insights will be used to guide the design of new N-heteropolycycles and functional materials based on them.