Structure and dynamics of excited and redox states of photocatalytic complexes
Ministry of Education, Youth and Sports of the Czech Republic
Development and Application of Quantum Chemical Methods
We will carry out a collaborative research in the framework of the COST Action CM1202 "Supramolecular photocatalytic water splitting" that is aimed at fundamental understanding of processes involved in photocatalyzed splitting of water to hydrogen and oxygen and at the development of new functional systems. In particular, we will perform combined experimental and theoretical investigations in the following directions: 1) character, structure, and dynamics of excited states of new types of photosensitizers (e.g. push-pull metal dithiolenes, rhenium complexes, corroles); 2) dynamics of ultrafast photoinduced electron transfer and their control; and 3) electrochemistry, spectroelectrochemistry and electronic structure of new water reduction and oxidation (photo)catalysts, e.g. dinuclear organometallic Ru complexes with redox-active bridging ligands. Toward the end of the project, we will generalize our results and formulate design principles aiding development and optimization of supramolecular photocatalytic systems.