Metal-porphyrin orbital interactions in paramagnetic iron complexes having planar and deformed porphyrin ring

Mikio Nakamura, Akira Ikezaki, Masashi Takahashi

Research output: Contribution to journalReview article

4 Citations (Scopus)


1H and 13C NMR chemical shifts of iron porphyrin complexes are determined mainly by the spin densities at the peripheral carbon and nitrogen atoms caused by the interaction between paramagnetic iron 3d and porphyrin molecular orbitals. This review describes how the half-occupied iron 3d orbitals such as dπ(dxz, dyz), d xy, dz2, and dx2-y2 interact with a specific porphyrin molecular orbital and affect the 1H and 13C NMR chemical shifts in planar, ruffled, saddled, and domed complexes. Revealing the relationship between the orbital interactions and NMR chemical shifts is quite important to determine the fine electronic structures of synthetic iron porphyrin complexes as well as naturally occurring heme proteins.

Original languageEnglish
Pages (from-to)9-21
Number of pages13
JournalJournal of the Chinese Chemical Society
Issue number1
Publication statusPublished - 2013 Jan 1



  • C NMR
  • Cation radical
  • Deformed porphyrin
  • Electronic structure
  • H NMR
  • Iron porphyrin
  • Orbital interactions
  • Spin state

ASJC Scopus subject areas

  • Chemistry(all)

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