The 120-Year Old Cold Case for the Grignard Reaction is Finally Solved

Arthur T Knackerbracket has found the following story:

The Grignard reaction is used to synthesize carbon-carbon bonds, a crucial step for making new molecules for academic and industry uses. Finding efficient and selective methods for this reaction, using low cost materials and minimal energy resources has been the target of the research activity for more than 100 years. Incredibly enough, the way the Grignard reaction works has been unknown-until now. As we finally understand it, ways to its improvement can now open up.

[...] Eisenstein and Cascella decided to tackle the problem using computer simulations. Modelling both the reagent and the solvent in a realistic manner, they were able to detect the multiple chemical species during the Schlenk equilibrium[*]. Importantly, their study identified that the whole process is determined by solvent molecules that combine to, or detach from, the magnesium atoms. Thus, the dance of solvent drives the exchange of partners for the magnesium atom, giving rise to the Schlenk equilibrium, and resulting in the different compounds present in the solution.

[*] Wikipedia entry on the Schlenk equilibrium.

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