Nature of Cation‐π Interaction in Mono‐ and Inverted Sandwich Ga(I) Complexes. Insights Into the Ga(I)‐π Features and NMR Patterns from GaCp, GaCp*, [Ga2Cp]+, and [Ga2Cp*]+
Raul Guajardo‐Maturana,
Peter L. Rodríguez‐Kessler,
Alvaro Muñoz‐Castro
Abstract:Cation‐π interactions involve different metallic cations, where the bonding characteristics depend on the involved species. Here, we unravel the interaction nature features for Ga(I)‐π interactions, where different contributing terms ensure an efficient coordination of one and two Ga(I)‐atoms towards a common aromatic ring. Our results show a more balanced contribution of about ~70% from electrostatic character and of ~30% from orbital interaction for the prototypical GaCp, GaCp*, [Ga2Cp]+ and [Ga2Cp*]+ specie… Show more
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