Three-centre electron sharing indices (3c-ESIs) as a tool to differentiate among (an)agostic interactions and hydrogen bonds in transition metal complexes. Issue 48 (6th December 2022) - García-Rodeja, Yago
Abstract : The agostic bond plays an important role in chemistry. Here we propose the use of three-centre electron sharing indices to classify M⋯H–X (X = C, N) interactions among agostic, anagostic, and hydrogen bonds. 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.