Molecular structures of five-coordinated halide ligated iron(III) porphyrin, porphycene, and corrphycene complexes

Yoshiki Ohgo; Saburo Neya; Takahisa Ikeue; Masashi Takahashi; Masuo Takeda; Noriaki Funasaki; Mikio Nakamura

doi:10.1021/ic0256866

Molecular structures of five-coordinated halide ligated iron(III) porphyrin, porphycene, and corrphycene complexes

Yoshiki Ohgo, Saburo Neya, Takahisa Ikeue, Masashi Takahashi, Masuo Takeda, Noriaki Funasaki, Mikio Nakamura

研究成果: Article › 査読

53 被引用数 (Scopus)

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Molecular structures of 12 porphyrin analogues, Fe^III(EtioP)X(1_a-1_d), Fe^III(EtioCn)X(2_a-2_d), and Fe^III(Etio-Pc)X(3_a-3_d), where X = F (a), Cl (b), Br (c), and I (d), are determined on the basis of X-ray crystallography. Combined analyses using Mössbauer, ¹H NMR, and EPR spectroscopy as well as SQUID magnetometry have revealed that 3_d exhibits a quite pure S = 3/2 spin state with a small amount of an S = 5/2 spin admixture. In contrast, all the other complexes show the S = 5/2 spin state with a small amount of the S = 3/2 spin admixture. The structural and spectroscopic data indicate a strong correlation between the spin states of the complexes and the core geometries such as Fe-N bond lengths, cavity areas, and ΔFe values.

本文言語	English
ページ（範囲）	4627-4629
ページ数	3
ジャーナル	Inorganic Chemistry
巻	41
号	18
DOI	https://doi.org/10.1021/ic0256866
出版ステータス	Published - 2002 9月 9
外部発表	はい

ASJC Scopus subject areas

物理化学および理論化学
無機化学

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title = "Molecular structures of five-coordinated halide ligated iron(III) porphyrin, porphycene, and corrphycene complexes",

abstract = "Molecular structures of 12 porphyrin analogues, FeIII(EtioP)X(1a-1d), FeIII(EtioCn)X(2a-2d), and FeIII(Etio-Pc)X(3a-3d), where X = F (a), Cl (b), Br (c), and I (d), are determined on the basis of X-ray crystallography. Combined analyses using M{\"o}ssbauer, 1H NMR, and EPR spectroscopy as well as SQUID magnetometry have revealed that 3d exhibits a quite pure S = 3/2 spin state with a small amount of an S = 5/2 spin admixture. In contrast, all the other complexes show the S = 5/2 spin state with a small amount of the S = 3/2 spin admixture. The structural and spectroscopic data indicate a strong correlation between the spin states of the complexes and the core geometries such as Fe-N bond lengths, cavity areas, and ΔFe values.",

author = "Yoshiki Ohgo and Saburo Neya and Takahisa Ikeue and Masashi Takahashi and Masuo Takeda and Noriaki Funasaki and Mikio Nakamura",

year = "2002",

month = sep,

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doi = "10.1021/ic0256866",

language = "English",

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T1 - Molecular structures of five-coordinated halide ligated iron(III) porphyrin, porphycene, and corrphycene complexes

AU - Ohgo, Yoshiki

AU - Neya, Saburo

AU - Ikeue, Takahisa

AU - Takahashi, Masashi

AU - Takeda, Masuo

AU - Funasaki, Noriaki

AU - Nakamura, Mikio

PY - 2002/9/9

Y1 - 2002/9/9

N2 - Molecular structures of 12 porphyrin analogues, FeIII(EtioP)X(1a-1d), FeIII(EtioCn)X(2a-2d), and FeIII(Etio-Pc)X(3a-3d), where X = F (a), Cl (b), Br (c), and I (d), are determined on the basis of X-ray crystallography. Combined analyses using Mössbauer, 1H NMR, and EPR spectroscopy as well as SQUID magnetometry have revealed that 3d exhibits a quite pure S = 3/2 spin state with a small amount of an S = 5/2 spin admixture. In contrast, all the other complexes show the S = 5/2 spin state with a small amount of the S = 3/2 spin admixture. The structural and spectroscopic data indicate a strong correlation between the spin states of the complexes and the core geometries such as Fe-N bond lengths, cavity areas, and ΔFe values.

AB - Molecular structures of 12 porphyrin analogues, FeIII(EtioP)X(1a-1d), FeIII(EtioCn)X(2a-2d), and FeIII(Etio-Pc)X(3a-3d), where X = F (a), Cl (b), Br (c), and I (d), are determined on the basis of X-ray crystallography. Combined analyses using Mössbauer, 1H NMR, and EPR spectroscopy as well as SQUID magnetometry have revealed that 3d exhibits a quite pure S = 3/2 spin state with a small amount of an S = 5/2 spin admixture. In contrast, all the other complexes show the S = 5/2 spin state with a small amount of the S = 3/2 spin admixture. The structural and spectroscopic data indicate a strong correlation between the spin states of the complexes and the core geometries such as Fe-N bond lengths, cavity areas, and ΔFe values.

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JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 18

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Molecular structures of five-coordinated halide ligated iron(III) porphyrin, porphycene, and corrphycene complexes

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