@article{EckertMascarenhasMitzneretal.2022,
  author    = {Eckert, Sebastian and Mascarenhas, Eric Johnn and Mitzner, Rolf and Jay, Raphael Martin and Pietzsch, Annette and Fondell, Mattis and Vaz da Cruz, Vinicius and F{\"o}hlisch, Alexander},
  title     = {From the free ligand to the transition metal complex},
  series = {Inorganic chemistry},
  volume    = {61},
  journal   = {Inorganic chemistry},
  number    = {27},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {0020-1669},
  doi       = {10.1021/acs.inorgchem.2c00789},
  pages     = {10321 -- 10328},
  year      = {2022},
  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.},
  language  = {en}
}