Abstract
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 language | English |
|---|---|
| Pages (from-to) | 691-697 |
| Number of pages | 7 |
| Journal | Crystal Growth and Design |
| Volume | 3 |
| Issue number | 5 |
| DOIs | |
| Publication status | Published - 2003 Sep 1 |
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All Science Journal Classification (ASJC) codes
- Chemistry(all)
- Materials Science(all)
- Condensed Matter Physics
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Cocrystallization of binuclear iron(III) porphyrins with C60 : Bending of μ-O{FeIII(octaethylporphyrin)} and the first structure of the iron(III) octaethyloxophlorin dimer. / Lee, Hon Man; Olmstead, Marilyn M.; Gross, Garrett G.; Balch, Alan L.
In: Crystal Growth and Design, Vol. 3, No. 5, 01.09.2003, p. 691-697.Research output: Contribution to journal › Article
TY - JOUR
T1 - Cocrystallization of binuclear iron(III) porphyrins with C60
T2 - Bending of μ-O{FeIII(octaethylporphyrin)} and the first structure of the iron(III) octaethyloxophlorin dimer
AU - Lee, Hon Man
AU - Olmstead, Marilyn M.
AU - Gross, Garrett G.
AU - Balch, Alan L.
PY - 2003/9/1
Y1 - 2003/9/1
N2 - 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.
AB - 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.
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U2 - 10.1021/cg030013z
DO - 10.1021/cg030013z
M3 - Article
AN - SCOPUS:0141497931
VL - 3
SP - 691
EP - 697
JO - Crystal Growth and Design
JF - Crystal Growth and Design
SN - 1528-7483
IS - 5
ER -