L-Edge X-ray Absorption Spectroscopic Investigation of {FeNO}⁶: Delocalization vs Antiferromagnetic Coupling.

ABSTRACT: NO is a classic non-innocent ligand, and iron nitrosyls can have different electronic structure descriptions depending on their spin state and coordination environment. These highly covalent ligands are found in metalloproteins and are also used as models for Fe-O₂ systems. This study utilizes iron L-edge X-ray absorption spectroscopy (XAS), interpreted using a valence bond configuration interaction multiplet model, to directly experimentally probe the electronic structure of the S = 0 {FeNO}⁶ compound [Fe(PaPy₃)NO]²⁺ (PaPy₃ = N,N-bis(2-pyridylmethyl)amine-N-ethyl-2-pyridine-2-carboxamide) and the S = 0 [Fe(PaPy₃)CO]⁺ reference compound. This method allows separation of the σ-donation and π-acceptor interactions o

SUBMITTER: Yan JJ 

PROVIDER: S-EPMC5322818 | biostudies-literature | 2017 Jan

REPOSITORIES: biostudies-literature