In summary, we investigated the feasibility of nucleophilic substitution
at the alkenyl and cyclopropyl carbon atoms of magnesium
carbenoids using DFT calculations. The activation free
energies for the reaction of magnesium carbenoids with a chloride
ion were smaller than those of the corresponding organic chlorides.
The magnesium atom on the electrophilic carbon atom facilitated
the nucleophilic substitution at the alkenyl and cyclopropyl
carbon atoms. Further theoretical study of the SNV reaction of magnesium
carbenoids as well as experimental studies concerning the
synthetic applications of the nucleophilic substitution of magnesium
carbenoids are currently on going and will be reported in
due course.