The crystal and molecular structure of six-coordinate intermediate-spin porphinatoiron(III) complex. (Octaethylporphinato)bis(tetrahydrofuran)iron(III) perchlorate.

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概要

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• The crystal structure of (octaethylporphinato)bis(tetrahydrofuran)iron(III) perchlorate was determined by the X-ray method. The complex crystallizes in the monoclinic space group C2/m, <I>a</I>=13.916(3) Å, <I>b</I>=16.509(3) Å, <I>c</I>=10.659(5) Å, β=118.18(1)°, and <I>Z</I>=2. The structure was solved by the direct method and refined by the full-matrix least-squares method. The final <I>R</I> value was 0.079 for 597 reflections. The complex has a crystallo-graphically imposed twofold axis and a mirror of symmetry. The porphinato core is planar within 0.06 Å. The iron(III) ion lies at the center of the octahedron formed by the four porphinato nitrogen atoms and the two tetrahydrofuran oxygen atoms. The axial Fe–O distance, 2.187(11) Å, is considerably longer than the reported distances for high-spin porphinatoiron(III) complexes, while the equatorial Fe–N distance, 1.978(12) Å, is comparable to those for low-spin and intermediate-spin porphinatoiron(III) complexes. The Fe–O and Fe–N bond distances are well explained in terms of an intermediate-spin state of the iron(III) ion.

• 公益社団法人 日本化学会の論文

著者

• MASUDA Hideki

  Faculty of Pharmaceutical Science, Kyoto University

• OSAKI Kenji

  Faculty of Pharmaceutical Science, Kyoto University

• Taga Tooru

  Faculty Of Pharmaceutical Science Kyoto University

• Yoshida Zen-ichi

  Department Of Applied Chemistry Faculty Of Science And Engineering Kinki University

• Sugimoto Hiroshi

  Faculty Of Engineering Tokyo University Of Science

• OGOSHI Hisanobu

  Department of Chemistry, Faculty of Engineering, Technical University of Nagaoka

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