Abstract

Several models for the porphyrin ring current effect are constructed based on a classical line current approximation and their performances in reproducing the observed induced shifts of ligand protons in Sn IV (porphyrin) dicarboxylate complexes are compared. A new model is selected and it is found that the diamagnetic ring current running on the inner 16π-electron circuit of the porphyrin is the main contributor together with a minor paratropic ring current on the outer 20π-electron circuit. Conformational analyses of bis(biphenyl carboxylate) complexes of Sn IV (tetraphenylporphyrin) in solution were carried out with this porphyrin ring current effect model.

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