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ABSTRACT:
SUBMITTER: Kaur A
PROVIDER: S-EPMC9826221 | biostudies-literature | 2022 Nov
REPOSITORIES: biostudies-literature
Kaur Aishvaryadeep A Wilson David J D DJD
Journal of computational chemistry 20220906 29
A theoretical investigation of ligand-stabilized MX diatomics (M = group 13, X = group 15 element) with N-heterocyclic carbene (NHC) ligands has been carried out to assess bonding and electronic structure. Binding of two ligands in the form L-MX-L is generally preferred over binding of a single ligand as L-MX or MX-L. Binding of carbene donor ligands is predicted to be thermodynamically favorable for all the systems, and is very favorable for the lighter group 15 systems (nitrogen and phosphorus ...[more]