Bond Strength of a Diatomic Acceptor Ligand: A Reliable Measure of Its Antibond Occupation and Its Charge?

A nitrosyl ligand is bonded to a central metal mainly via mostly covalent normal bond and coordinative metal-to-NO π-backbond. recent analysis had unravelled similar bonding characteristics of both linear bent CoNO moieties in terms charge antibond occupation. Thus, there should be no justification for the usual assignment an NO+ MNO unit singlet-NO− one. This claim seems contradict that bending weakens N−O with marked red-shift stretch as one indicator. In this work, failure Dewar-Chatt-Duncanson-derived conclusions demonstrated linear/bent isomer couples by M−N strengths. Instead DCD behavior, lateral electrostatic influence on NO other diatomic ligands modulates intraligand strength way has been shown former work polar interaction CO ‘non-classical’ carbonyls. Methodologically, local-mode used determine Oxidation states are determined effective-oxidation-state (EOS) method.