TRR 88: Cooperative Effects in Homo- and Heterometallic Complexes (3MET)

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The Transregional CRC „Cooperative Effects in Homo- and Heterometallic Complexes (3MET)“ addresses the fundamental relationships connecting interactions between atomic metal centers and resulting molecular properties. Solving them will lead to new applications in fields ranging from homogeneous catalysis to pho-tonics. 3MET concentrates on the synthesis, physico-chemical characterization and theoretical description of ligand-stabilized homo- and hetero-bimetallic complexes containing only a few metal atoms – typically three. 3MET aims to understand metal-metal interactions and structures in multinuclear complexes and clusters comprising transition metal and/or lanthanide atoms. 3MET explores fundamentals for future applications in the contexts of photoactive materials, optoelectronics, magnetic information storage, quantum computing and selective catalysis.3MET addresses cooperative effects, i.e. properties of the multinuclear complexes which differ from those of the uncoupled metal centers. We aim to control such effects by tuning the complexes and in so doing opti-mize them for specific applications. For the third funding period, 3MET intends to achieve predictive accura-cies in calculations of cooperative properties and in selected cases to realize comprehension-based optimiza-tion of 3MET complexes for specific applications, e.g. gated photoluminescence. The joint experimental and theoretical research program of 3MET comprises 19 projects from chemistry and physics within the Research Areas: A Magnetism, B Synthesis and Catalysis, and C Optical Properties and Spectroscopy. 3MET complexes are subjects of study by a pool of diverse experimental and theoretical methods (many of them unique and newly developed within 3MET) allowing efficient and well-defined iterative cycles of collaboration between synthesis, characterization and ab initio theory. 3MET is an intense collabora-tion of the two participating institutions Technische Universität Kaiserslautern (TUK) and Karlsruhe Institute of Technology (KIT), together with a contributing group from Ruhr Universität Bochum (RUB) – providing for a unique, complementary methodological base of knowledge and skills.