From the Free Ligand to the Transition Metal Complex: FeEDTA- Formation Seen at Ligand K-Edges

Inorg Chem. 2022 Jul 11;61(27):10321-10328. doi: 10.1021/acs.inorgchem.2c00789. Epub 2022 Jun 28.

Abstract

Chelating agents are an integral part of transition metal complex chemistry with broad biological and industrial relevance. The hexadentate chelating agent ethylenediaminetetraacetic 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.

MeSH terms

  • Coordination Complexes*
  • Edetic Acid
  • Ferric Compounds / chemistry
  • Ligands
  • Metals
  • Transition Elements*

Substances

  • Coordination Complexes
  • Ferric Compounds
  • Ligands
  • Metals
  • Transition Elements
  • Edetic Acid