Magnesium acetylides, structure

B3LYP/6-31 lG-l-l-(d,p) calculations on the reactions of (1-chlorovinyl)- and (1-chlorocyclopropyl)magnesium chlorides solvated with two molecules of dimethyl ether, with a chloride ion, methyl anion, vinyl anion, or an acetylide anion showed that the reactions with magnesium compounds have lower AG values than either chloroethene or chlorocyclopropane. This is attributed to the longer, more reactive, C-Cl bond in the magnesium compounds. The potential energy surfaces, AG values, and the transition state structures for the reactions are given. 

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