Cocrystallization of binuclear iron(III) porphyrins with C60: Bending of μ-O{FeIII(octaethylporphyrin)} and the first structure of the iron(III) octaethyloxophlorin dimer

Hon Man Lee, Marilyn M. Olmstead, Garrett G. Gross, Alan L. Balch

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Black crystals of C60·μ-O{FeIII(OEP)} 2·C6H6 and 2C60· {FeIII(OEPO)}2·4C6H6 suitable for single-crystal X-ray diffraction studies have been obtained by growth from benzene solutions of the appropriate binuclear metalloporphyrin and the fullerene. C60·μ-O{FeIII(OEP)} 2·C6H6 crystallizes with two molecules of μ-O{FeIII(OEP)}2, two fully ordered molecules of C60, and two molecules of benzene in the asymmetric unit. Each independent molecule of μ-O{FeIII(OEP)}2 makes close contact with two fullerene molecules. In C60·μ-O{Fe III(OEP)}2·C6H6 the Fe-O-Fe angles (150.18(11)° and 151.89(11)°) are markedly bent with a benzene molecule wedged into the opening between the two porphyrins, whereas in the triclinic and monoclinic polymorphs of μ-O{FeIII(OEP)} 2 the Fe-O-Fe angles are more nearly linear (172.16(17)° and 176.2(2)°, respectively). The structure of 2C60·{Fe III(OEPO)}2·4C6H6 consists of a centrosymmetric {FeIII(OEPO)}2 molecule in which the two macrocycles are connected to one another through axial coordination of the meso-oxygen atoms to iron ions in the neighboring porphyrin. Each molecule of {FeIII-(OEPO)}2 engages a fullerene on its two exposed faces. The basic geometry of the central core of {FeIII(OEPO)} 2 is similar to that of the previously characterized {In III(OEPO)}2, but the distortion of the two macrocycles is greater in the former due to the shorter Fe-N and Fe-O bonds.

Original languageEnglish
Pages (from-to)691-697
Number of pages7
JournalCrystal Growth and Design
Issue number5
Publication statusPublished - 2003 Sep 1

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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