Ligand effects on coordination properties of organolithium compounds: insights from computational experiments on a "weakened" Li+
Résumé
A simple numerical experiment is presented which allows tuning the lithium
electrophilicity, a parameter strongly affected by the solvent and additives coordination. A series of
coordination of Li+ to carbanions or polydentate nucleophiles is examined showing the potential and the
limits of this approach. The results suggest that such a simple trick can be remarkably helpful to model
and decipher the effects of solvation on the structure and properties of lithiated organometallic species.
Domaines
Chimie
Origine : Fichiers produits par l'(les) auteur(s)