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Hyperfine Shifts of the 13 C‐NMR. in low spin iron(III) porphyrin complexes
Author(s) -
Wüthrich Kurt,
Baumann Rudolf
Publication year - 1973
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19730560204
Subject(s) - porphin , chemistry , porphyrin , hyperfine structure , fermi contact interaction , spin (aerodynamics) , dipole , crystallography , carbon 13 nmr , chemical shift , proton nmr , photochemistry , stereochemistry , atomic physics , organic chemistry , physics , engineering , aerospace engineering
The 13 C‐NMR. in Zn(II)(Porphin), Fe(III)(Porphin)(CN 2 ), Zn(II)(Tetraphenyl‐porphin), and Fe(III)(Tetraphenylporphin)(CN 2 ) have been identified, and the 13 C hyperfine shifts in the iron complexes evaluated. It was found that dipole‐dipole coupling with the electron spin localized in the π‐orbitals of the aromatic carbon atoms makes an important contribution, to the 13 C hyperfine shifts. In a preliminary analysis the experimental spin density distribution obtained from the combined 1 H‐ and 13 C‐NMR.‐data is compared with theoretical models of the iron porphyrin complexes.