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  • Title: Proton magnetic resonance studies of porphyrin iron (3) cyanides.
    Author: Wüthrich K, Shulman RG, Wyluda BJ, Caughey WS.
    Journal: Proc Natl Acad Sci U S A; 1969 Mar; 62(3):636-43. PubMed ID: 5256994.
    Abstract:
    The nuclear magnetic resonance (NMR) spectra at 220 Mc of cyanodeuteroporphyrin IX dimethyl ester iron (III), cyanoprotoporphyrin IX diethyl ester iron (III), and cyanoprotoporphyrin IX iron (III) in a mixed solvent of 80 per cent d(5)-pyridine and 20 per cent D(2)O have been measured. The resonances are assigned and, except for the ester alkoxy groups, are shown to be shifted by temperature-dependent hyperfine interactions with Fe (III). From the experiments, upper limits are placed upon the pseudocontact contributions, and values of the contact interactions are derived. Spin densities in carbon pi-orbitals are calculated from the contact shifts and discussed in terms of preliminary Hückel calculations.
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