AM1 calculations are reported which demonstrate that the classical hydrogen migration in porphyrin occurs via a two-step mechanism, not a synchronous-concerted mechanism as has been previously supposed; the implications of this mechanism on tautomerization dynamics are discussed.
K. M. Merz and C. H. Reynolds, J. Chem. Soc., Chem. Commun., 1988, 90 DOI: 10.1039/C39880000090
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