Abstract
The1H and13C NMR spectra of a number of zinc complexes of meso-substituted porphyrins and their dianions have been investigated. The upfield shifts of the signals of all the protons in the spectra of the dianions are caused by the effects of the paramagnetic ring current. A linear relationship of the calculated electron density with both the experimental chemical shifts of the13C nuclei in the original porphyrins and the shifts calculated in the framework of the mean excitation energy has been revealed. Differences in the behavior of the signals of the α-, Β-, and meso-carbon atoms have been discovered upon the formation of the dianions, and they have been attributed to the influence of the electronic charge, the change in the mean excitation energy, and the paramagentic ring currents.
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Translated from Teoreticheskaya i éksperimental'naya Khimiya, Vol. 24, No. 1, pp. 41–49, January–February, 1988.
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Sinyakov, G.N., Shul'ga, A.M., Filatov, I.V. et al. 13C and1H NMR spectra of porphyrin dianions and their charge distribution. Theor Exp Chem 24, 37–44 (1988). https://doi.org/10.1007/BF01392188
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DOI: https://doi.org/10.1007/BF01392188