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Issue 2, 1988
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Tautomerism in free base porphyrins: the porphyrin potential energy surface

Abstract

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.

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Article type: Paper
DOI: 10.1039/C39880000090
Citation: J. Chem. Soc., Chem. Commun., 1988,0, 90-92
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    Tautomerism in free base porphyrins: the porphyrin potential energy surface

    K. M. Merz and C. H. Reynolds, J. Chem. Soc., Chem. Commun., 1988, 0, 90
    DOI: 10.1039/C39880000090

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