Eckert, S.; Mascarenhas, E.J.; Mitzner, R.; Jay, R.M.; Pietzsch, A.; Fondell, M.; da Cruz, V.V.; Föhlisch, A.: From the Free Ligand to the Transition Metal Complex: FeEDTA- Formation Seen at Ligand K-Edges. Inorganic Chemistry 61 (2022), p. 10321-10328
10.1021/acs.inorgchem.2c00789
Open Access Version
Abstract:
Chelating agents are an integral part of transition metal complex chemistry with broad biological and industrial relevance. The hexadentate chelating agent ethylenediaminetetra- acetic acid (EDTA) has the capability to bind to metal ions at its two nitrogen and four of its carboxylate oxygen sites. We use resonant inelastic X-ray scattering at the 1s absorption edge of the aforementioned elements in EDTA and the iron(III)-EDTA complex to investigate the impact of the metal-ligand bond formation on the electronic structure of EDTA. Frontier orbital distortions, occupation changes, and energy shifts through metal− ligand bond formation are probed through distinct spectroscopic signatures.