Computational and Experimental Study of Turbo-Organomagnesium Amide Reagents: Cubane Aggregates as Reactive Intermediates in Pummerer Coupling

The dynamic equilibria of organomagnesium reagents are recognized to be very complicated, and the relative reactivity of their parts is poorly understood. Herein, a mix of DFT calculations and kinetic experiments is employed to analyze the detailed response mechanism of the Pummerer coupling between sulfoxides and turbo-organomagnesium amides. Among the varied aggregates studied, unprecedented heterometallic

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