The Baker group’s research applies X-ray and neutron spectroscopy measurements to understand the electronic structure and magnetism of metal ions and clusters. This research involves applying a wide range of large scale facility techniques alongside computational methods, with a particular emphasis on resonant inelastic X-ray scattering (RIXS). Research projects that are currently underway are listed below.
Quantification of actinide physicochemical properties
We are interested in obtaining an accurate understanding of actinide structure-property relationships. To achieve this, we combine advanced synchrotron X-ray spectroscopy methods (RIXS, XANES, XES, XMCD) with semi-empirical and ab initio theories. We focus on simple periodic trends to systematically investigate how symmetry, oxidation state and ligand atom influence properties. See, for instance, J. Am. Chem. Soc. 2024, 146, 32, 22570–22582.
Electrons in atoms and molecules for quantum technologies
We are interested in how unusual oxidation states and electronic configurations can be exploited to tailor electronic structure and paramagnetism. We apply neutron and X-ray spectroscopies to correlate structures to spin dynamics in molecules and dopants in crystals and on surfaces. See, for instance, Chem. Sci., 2024,15, 2433-2442.
Bio-inorganic chemistry: catalysis at transition metal active sites
We apply advanced X-ray spectroscopies to quantify metal-ligand covalency in various bio-inorganic systems with active Fe, Co, and Cu sites. See, for instance, J. Am. Chem. Soc. 2023, 145, 34, 18977–18991.
