MS18-P01 High-pressure single-crystal X-ray diffraction study of a model Rh complex exhibiting metallophilic interactions in the solid state Radosław Kamiński (Department of Chemistry, University of Warsaw, Warsaw, Poland) Katarzyna N. Jarzembska (Department of Chemistry, University of Warsaw, Warsaw, Poland) Damian Paliwoda (Department of Chemistry, Lehigh University, Betlehem, United States of America) Václav Petříček (Institute of Physics, Czech Academy of Sciences, Prague, Czech Republic) Carla Pretorius (Department of Chemistry and Polymer Science, Stellenbosch University, Bloemfontein, South Africa) Andreas Roodt (Department of Chemistry, University of the Free State, Bloemfontein, South Africa)email: rkaminski85@gmail.comHigh-pressure studies of materials constitute an important field of research, as high-pressure phases often exhibit unique properties, as well as, via applying high pressure one may see what happens to a given material in real-life conditions. The detailed knowledge of materials’ structure is indispensable to understand, and later to potentially sensibly control, their behaviour and function. In this respect high-pressure single-crystal X-ray diffraction experiments provide full picture of material’s structure with atomic resolution.

Consequently, in this contribution we describe our recent studies of a model rhodium complex, namely LRh(CO)2 (L = 3-benzoylacecate), which exhibits chain substructures based on the Rh…Rh interactions propagating along the Y-axis direction. It is shown the temperature does not have a significant impact on the structural parameters (except for the less obvious unit cell choice in the case of the high temperature structure). In turn, the application of high pressure leads to an interesting phase transition, in which the Rh…Rh chains differentiate noticeably. As a result the structure becomes modulated and has to be treated within a super-space approach. Thus, here the structural analysis of the new modulated phase is presented and the further prospects of using this information to explain spectroscopic behaviour under high pressure are discussed.

High-pressure experiments were conducted at the ID15B beamline of the ESRF facility (Grenoble, France) (proposal no.: CH-4903). R.K. would like to thank SONATA grant (2016/21/D/ST4/03753) from the National Science Centre in Poland for financial support. The in-house X-ray diffraction experiments were carried out at the Department of Physics, University of Warsaw, at the Rigaku Oxford Diffraction SuperNova diffractometer, which was co-financed by the European Union within the European Regional Development Fund (POIG.02.01.00-14-122/09).

Keywords: High pressure, synchrotron, rhodium complexes, modulated structures, metallophilic interactions