Seminarium "Modeling of Complex Systems"

Whereas studies of light-induced effects in solutions are rather well-developed nowadays, the solid-state investigations of this kind are much more demanding, thus less established. Nevertheless, solid-state materials applications are of great and constantly increasing significance, ranging fromsensors, optoelectronic devices and ultra-high capacity data storage media, to environmental and biomedical applications. Therefore, a considerable volume of effort should be dedicated to studies of materials in their technologically-applicable solid-state form. In this respect, single crystals are unique due to well-defined three-dimensional structure. This property makes them excellent model systems to mimic real-world situations, but also to supplement the solution-sample studies, or model the inter-surface environment. Since light-induced processes cause structural distortions (new bond formations, atom oxidation state changes, etc.), in the case of crystals they can beexplored via X-ray diffraction techniques. In this contribution the current possibilities of time-resolved photocrystallography for small molecule crystals will be presented. The results of synchrotron studies dedicated to photoactivetransition-metal complexes in the solid state will show the use of the time-resolved Laue technique to track photo-induced short-lived excited states in molecular crystals [1,2,3]. Structural changes observed 100 ps after the excitation will be presented. A particular attention will be paid to the newdata processing methods [4,5]. Additionally research perspectives emerging once XFEL radiation is applied will be briefly shown. In this context the network of X-ray free-electron laser Centres of Excellence (XFEL CoE), which has been established last year to provide substantive and organizational support to the Polish scientific community in the use of the European XFEL (EuXFEL), will be presented.1. K.N. Jarzembska, R. Kamiński, B. Fournier, E. Trzop, J.D. Sokolow, R. Henning, Y. Chen, P. Coppens, Inorg. Chem. 2014, 53, 10594.2. K.N. Jarzembska, R. Kamiński, K.F. Dziubek, M. Citroni, D. Paliwoda, K. Durka, S. Fanetti, R. Bini, Inorg. Chem. 2018, 57, 8509.3. P. Łaski, K.N. Jarzembska et al., to be submitted.4. D. Szarejko, R. Kamiński, P. Łaski, K.N. Jarzembska, J. Synchrotron Rad. 2020, 27, 405.5. R. Kamiński, D. Szarejko, M.N. Pedersen, L.E. Hatcher, P. Łaski, P.R. Raithby, M. Wulff, K.N. Jarzembska, J. Appl. Cryst. 2020, 53, 1370.