Understanding the electronic structure of ruthenium

Ruthenium 4d-to-2p X-ray emission spectroscopy

Natalia Levin, Sergey Peredkov, and Serena DeBeer at the X-ray beamline

Although ruthenium is a relatively rare element, it is essential for diverse catalytic processes. In order to design more efficient catalysts, a detailed understanding of the electronic structure of ruthenium and its coordination environment is needed. In this regard, as element selective probes of a metal of interest, X-ray spectroscopic techniques are very attractive. However, techniques usually employed for Ru have limitations.

In a recent publication in the journal Inorganic Chemistry, MPI scientists systematically explored Ru 4d-to-2p X-ray emission spectroscopy (XES) for the first time. In combination with simple theoretical calculations, this technique provides a highly detailed insight into the electronic structure of ruthenium-based molecules. Particularly, 4d-to-2p XES allows them to simultaneously access ligand and metal contributions to bonding. Therefore, this novel tool is very promising for the study not only of ruthenium species but also of a wide range of other 4d transition metal compounds. The researchers expect the 4d-to-2p XES to pave the path for further catalyst optimization.

This development was possible thanks to the design and starting up of the new <link https: www.helmholtz-berlin.de projects emil instruments analytics pink_en.html _blank>beamline PINK, and dedicated new XES spectrometer, designed by Dr. Sergey Peredkov and team, working at the BESSY II synchrotron ring in Berlin and part of the Department of <link>Inorganic Spectroscopy led by Prof. Dr. Serena DeBeer.

Original Publication: Levin, N., Peredkov, S., Weyhermüller, T., Rüdiger, O., Pereira, N.B., Grötzsch, D., Kalinko, A., DeBeer, S. Ruthenium 4d-to-2p X-ray Emission Spectroscopy: A Simultaneous Probe of the Metal and the Bound Ligands. Inorganic Chemistry.<link https: pubs.acs.org doi acs.inorgchem.0c00663>

pubs.acs.org/doi/10.1021/acs.inorgchem.0c00663