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Not Guilty on Every Count: The "Non-Innocent" Nitrosyl Ligand in the Framework of IUPAC's Oxidation-State Formalism.

Torsten AmpßlerGeorg MonschJens PoppTobias RiggenmannPedro SalvadorDaniel SchröderPeter Klüfers
Published in: Angewandte Chemie (International ed. in English) (2020)
Nitrosyl-metal bonding relies on the two interactions between the pair of N-O-π* and two of the metal's d orbitals. These (back)bonds are largely covalent, which makes their allocation in the course of an oxidation-state determination ambiguous. However, apart from M-N-O-angle or net-charge considerations, IUPAC's "ionic approximation" is a useful tool to reliably classify nitrosyl metal complexes in an orbital-centered approach.
Keyphrases
  • high resolution
  • density functional theory
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  • molecular dynamics
  • molecularly imprinted
  • electron transfer
  • transition metal