Three-centre electron sharing indices (3c-ESIs) as a tool to differentiate among (an)agostic interactions and hydrogen bonds in transition metal complexes
Yago García‐Rodeja, Ferran Feixas, Eduard Matito, Miquel Solà
Abstract
The agostic bond plays an important role in chemistry, not only in transition metal chemistry but also in main group chemistry. In some complexes with M⋯H-X (X = C, N) interactions, differentiation among agostic, anagostic, and hydrogen bonds is challenging. Here we propose the use of three-centre electron sharing indices to classify M⋯H-X (X = C, N) interactions.
Topics & Concepts
Agostic interactionTransition metalChemistryHydrogen bondCrystallographyChemical bondHydrogenMetalMoleculeOrganic chemistryCatalysisCrystallography and molecular interactionsOrganometallic Complex Synthesis and CatalysisSynthesis and characterization of novel inorganic/organometallic compounds