Fe-TPP Coordination Network with Metalloporphyrinic Neutral Radicals and Face-to-Face and Edge-to-Face π-π Stacking

被引：11

作者：

Fidalgo-Marijuan, Arkaitz ^{[1
]}

Barandika, Gotzone ^{[3
]}

Bazan, Begona ^{[1
]}

Karmele Urtiaga, Miren ^{[1
]}

Lezama, Luis ^{[2
]}

Isabel Arriortua, Maria ^{[1
]}

机构：

[1] Univ Basque Country, Dept Mineral & Petr, Fac Ciencias & Tecnol, EHU, E-48080 Bilbao, Spain

[2] Univ Basque Country, Dept Quim Inorgan, Fac Ciencias & Tecnol, EHU, E-48080 Bilbao, Spain

[3] Univ Basque Country, Fac Farm, Dept Quim Inorgan, EHU, Vitoria 01006, Spain

来源：

INORGANIC CHEMISTRY | 2013年 / 52卷 / 14期

关键词：

METAL-ORGANIC FRAMEWORKS; 6-COORDINATE IRON(III) PORPHYRIN; STRUCTURAL-CHARACTERIZATION; MAGNETIC-PROPERTIES; WATER-OXIDATION; MN; CO; REDUCTION; DENSITY; POLYMER;

D O I：

10.1021/ic4007372

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Compound ([FeTPPbipy](center dot))(n) (TPP = meso-tetraphenylporphyrin and bipy = 4,4'-bipyridine) is the first example of a Fe-TPP-bipy coordination network, and it consists of 1D polymers packed through face-to-face and edge-to-face pi-pi interactions. The compound has been investigated by means of X-ray diffraction, IR, Mossbauer, UV-visible, and EPR spectroscopies, thermogravimetry, magnetic susceptibility measurements, and quantum-mechanical density functional theory (DFT) and time-dependent DFT calculations. The chemical formula for this compound can be confusing because it is compatible with Fe-II and TPP2- anions. However, the spectroscopic and magnetic properties of this compound are consistent with the presence of low-spin Fe-III ions and [FeTPPbipy](center dot) neutral radicals. These radicals are proposed to be formed by the reduction of metalloporphyrin, and the quantum-mechanical calculations are consistent with the fact that the acquired electrons are located on the phenyl groups of TPP.

引用

页码：8074 / 8081

页数：8

共 55 条

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