Posts Tagged ‘high energy molecules’

The π-complex in the benzidine rearrangement: a molecular orbital analysis.

Friday, January 18th, 2013
No Gravatar

Michael Dewar[1] famously implicated a so-called π-complex in the benzidine rearrangement, back in the days when quantum mechanical calculations could not yet provide a quantitatively accurate reality check. Because this π-complex actually remains a relatively unusual species to encounter in day-to-day chemistry, I thought I would try to show in a simple way how it forms.

(more…)

References

  1. M. Dewar, and H. McNicoll, "Mechanism of the benzidine rearrangement", Tetrahedron Letters, vol. 1, pp. 22-23, 1959. http://dx.doi.org/10.1016/S0040-4039(01)82765-9