Obtaining a detailed understanding of the electronic structure of transition metals is of fundamental importance in countless areas of chemistry – ranging from single molecule magnets to photoactive materials to catalysis. However, experimentally accessing the many particle d-d spectrum of a transition metal presents many experimental challenges. These limitations derive in part from parity and spin-selection rules, as well as from the limited energy range of many standard laboratory instruments. Herein, we highlight the ability of 2p3d resonant inelastic X-ray scattering (RIXS) to obtain insight into the low lying d-d transitions, to separate d-d transitions from charge transfer states, and to determine the d-d spectrum over a much wider range than what is possible in conventional optical spectroscopy. Recent applications to high and low-spin molecular iron complexes will be discussed, as well as applications to a spin-crossover complex. Finally, the results will be correlated to optical spectroscopy and theoretical calculations in order to arrive at a holistic picture of the electronic structure.

Probing the ligand-field properties of iron complexes using 2p3d resonant inelastic X-ray scattering

ACS Spring 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.