Posts Tagged ‘computed potential energy surfaces’

Cyclopropanation: the mechanism of the Simmons–Smith reaction.

Sunday, December 14th, 2014

These posts contain the computed potential energy surfaces for a fair few “text-book” reactions. Here I chart the course of the cyclopropanation of alkenes using the Simmons-Smith reagent,[1] as prepared from di-iodomethane using zinc metal insertion into a C-I bond.
simmonds-smith

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References

  1. H.E. Simmons, and R.D. Smith, "A NEW SYNTHESIS OF CYCLOPROPANES FROM OLEFINS", Journal of the American Chemical Society, vol. 80, pp. 5323-5324, 1958. http://dx.doi.org/10.1021/ja01552a080