Internal and external factors in the structural organization in cocrystals of the mixed-metal endohedrals (GdSc2N@Ih-C80, Gd2ScN@Ih-C80, and TbSc2N@I h-C80) and nickel(II) octaethylporphyrin

Steven Stevenson, Christopher J. Chancellor, Man Lee Hon, Marilyn M. Olmstead, Alan L. Balch

研究成果: Article

72 引文 (Scopus)

摘要

Structural characterizations of three new mixed-metal endohedrals, GdSc2N@Ih-C80, Gd2ScN@I h-C80, and TbSc2@IhC80, have been obtained by single-crystal X-ray diffraction on GdSc 2N@Ih-C80·NiII(OEP) ·2C6H6, Gd2ScN@IhC 80-NiII(OEP)·2C6H6, and TbSc2N@Ih-C80·NiII(OEP) ·2C6H6. All three have Ih-C80 cages and planar MM′2N units. The central nitride ion is positioned further from the larger Gd3+ or Tb3+ ions and closer to the smaller Sc3+ ions. The MM′2N units show a remarkable degree of orientational order in these and related compounds in which the endohedral fullerene is cocrystallized with a metalloporphyrin. The MM′2N units are oriented perpendicularly to the porphyrin plane and aligned along one of the N-Ni-N axes of the porphyrin. The smaller Sc3+ ions show a marked preference to lie near the porphyrin plane. The larger Gd3+ or Tb3+ ions assume positions further from the plane of the porphyrin. The roles of dipole forces and electrostatic forces in ordering these cocrystals of endohedral fullerenes and metalloporphyrins are considered.

原文English
頁(從 - 到)1420-1427
頁數8
期刊Inorganic Chemistry
47
發行號5
DOIs
出版狀態Published - 2008 三月 3

指紋

Nickel
Porphyrins
porphyrins
Metals
nickel
Ions
Metalloporphyrins
Fullerenes
metals
ions
fullerenes
Electrostatic force
Nitrides
nitrides
octaethylporphyrin
Single crystals
electrostatics
dipoles
X ray diffraction
single crystals

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

引用此文

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abstract = "Structural characterizations of three new mixed-metal endohedrals, GdSc2N@Ih-C80, Gd2ScN@I h-C80, and TbSc2@IhC80, have been obtained by single-crystal X-ray diffraction on GdSc 2N@Ih-C80·NiII(OEP) ·2C6H6, Gd2ScN@IhC 80-NiII(OEP)·2C6H6, and TbSc2N@Ih-C80·NiII(OEP) ·2C6H6. All three have Ih-C80 cages and planar MM′2N units. The central nitride ion is positioned further from the larger Gd3+ or Tb3+ ions and closer to the smaller Sc3+ ions. The MM′2N units show a remarkable degree of orientational order in these and related compounds in which the endohedral fullerene is cocrystallized with a metalloporphyrin. The MM′2N units are oriented perpendicularly to the porphyrin plane and aligned along one of the N-Ni-N axes of the porphyrin. The smaller Sc3+ ions show a marked preference to lie near the porphyrin plane. The larger Gd3+ or Tb3+ ions assume positions further from the plane of the porphyrin. The roles of dipole forces and electrostatic forces in ordering these cocrystals of endohedral fullerenes and metalloporphyrins are considered.",
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Internal and external factors in the structural organization in cocrystals of the mixed-metal endohedrals (GdSc2N@Ih-C80, Gd2ScN@Ih-C80, and TbSc2N@I h-C80) and nickel(II) octaethylporphyrin. / Stevenson, Steven; Chancellor, Christopher J.; Hon, Man Lee; Olmstead, Marilyn M.; Balch, Alan L.

於: Inorganic Chemistry, 卷 47, 編號 5, 03.03.2008, p. 1420-1427.

研究成果: Article

TY - JOUR

T1 - Internal and external factors in the structural organization in cocrystals of the mixed-metal endohedrals (GdSc2N@Ih-C80, Gd2ScN@Ih-C80, and TbSc2N@I h-C80) and nickel(II) octaethylporphyrin

AU - Stevenson, Steven

AU - Chancellor, Christopher J.

AU - Hon, Man Lee

AU - Olmstead, Marilyn M.

AU - Balch, Alan L.

PY - 2008/3/3

Y1 - 2008/3/3

N2 - Structural characterizations of three new mixed-metal endohedrals, GdSc2N@Ih-C80, Gd2ScN@I h-C80, and TbSc2@IhC80, have been obtained by single-crystal X-ray diffraction on GdSc 2N@Ih-C80·NiII(OEP) ·2C6H6, Gd2ScN@IhC 80-NiII(OEP)·2C6H6, and TbSc2N@Ih-C80·NiII(OEP) ·2C6H6. All three have Ih-C80 cages and planar MM′2N units. The central nitride ion is positioned further from the larger Gd3+ or Tb3+ ions and closer to the smaller Sc3+ ions. The MM′2N units show a remarkable degree of orientational order in these and related compounds in which the endohedral fullerene is cocrystallized with a metalloporphyrin. The MM′2N units are oriented perpendicularly to the porphyrin plane and aligned along one of the N-Ni-N axes of the porphyrin. The smaller Sc3+ ions show a marked preference to lie near the porphyrin plane. The larger Gd3+ or Tb3+ ions assume positions further from the plane of the porphyrin. The roles of dipole forces and electrostatic forces in ordering these cocrystals of endohedral fullerenes and metalloporphyrins are considered.

AB - Structural characterizations of three new mixed-metal endohedrals, GdSc2N@Ih-C80, Gd2ScN@I h-C80, and TbSc2@IhC80, have been obtained by single-crystal X-ray diffraction on GdSc 2N@Ih-C80·NiII(OEP) ·2C6H6, Gd2ScN@IhC 80-NiII(OEP)·2C6H6, and TbSc2N@Ih-C80·NiII(OEP) ·2C6H6. All three have Ih-C80 cages and planar MM′2N units. The central nitride ion is positioned further from the larger Gd3+ or Tb3+ ions and closer to the smaller Sc3+ ions. The MM′2N units show a remarkable degree of orientational order in these and related compounds in which the endohedral fullerene is cocrystallized with a metalloporphyrin. The MM′2N units are oriented perpendicularly to the porphyrin plane and aligned along one of the N-Ni-N axes of the porphyrin. The smaller Sc3+ ions show a marked preference to lie near the porphyrin plane. The larger Gd3+ or Tb3+ ions assume positions further from the plane of the porphyrin. The roles of dipole forces and electrostatic forces in ordering these cocrystals of endohedral fullerenes and metalloporphyrins are considered.

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