The nature of metal-metal bonding in Re-, Ru- and Os-corrole dimers.

ABSTRACT: Studies of multiple bonding between transition metal complexes offer fundamental insight into the nature of bonding between metal ions and facilitate predictions of the physical properties and the reactivities of metal complexes containing metal-metal multiple bonds. Here we report a computational interrogation on the nature of the metal-metal bonding for neutral, oxidized, and reduced forms of dinuclear rhenium and osmium corrole complexes, [{Re[TpXPC]}₂]^0/1+/1- and [{Os[TpXPC]}₂]^0/1+/1-, using a complete active space self-consistent (CASSCF) methodology and density functional theory (DFT) calculations. For [{Re[TpXPC]}₂]⁰, [{Ru[TpXPC]}₂]⁰, and [{Os[TpXPC]}₂]⁰, CASSCF calculations

SUBMITTER: Obies M 

PROVIDER: S-EPMC9237918 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature