Sub Projects

3d-metal-talk from Matthias Bauer, Katja Heinze, Vera Krewald

The main targets are the design, construction and deep understanding of novel molecule-based magnetic materials with optical read-out. This will be achieved by a combination of iron(II)/chromium(II) spin-crossover and luminescent chromium(III) complexes based on the molecular ruby motif. The constituent functional units will be assembled (a) via ion pairing, (b) via coordinative bonds in heterobimetallic complexes or (c) via redox tuning of mixed-valent Cr^II/Cr^III salts. To disentangle the interaction effects on a molecular level, we will employ suitable spectroscopic methods at variable temperature, including time-resolved spectroscopies as well as quantum chemical investigations (benchmarked DFT and post-Hartree–Fock methods) including an adequate representation of the ensemble. The ultimate aim of this project is an optical read-out of the iron(II) HS/LS population with high contrast using different read-out channels, namely quantum yield F, lifetime t and wavelength l of the chromium(III) luminescence.