Novel insights into an old chemical mystery

By pairing up Grignard reactants with lithium salts, chemists have discovered very powerful reagents, which they aptly named "Turbo" reagents. The success of these bimetallic formulations was immediately clear. However, structural information has remained as a crucial missing piece in the intricate chemical puzzle of Grignard reagents. Where experimental studies remain challenging, accurate computational modelling based on ab-initio molecular dynamics has proved to be key to shed light into a detailed understanding of these complex systems. 

This study provides, for the first time, insight into the structure of LiCl in solution, and its interaction with representative Grignard reagents. Such information proves to be crucial in understanding how LiCl enhances the widely recognised Grignard reaction, as one of the examples of the the synergystic role of lithium salts. This study proposes a scenario where LiCl controls the composition of Grignard solutions, favouring the formation of small, more reactive species. This study was supported by the Research Council of Norway, and the Pioneer Research Grant MetalSynergy.