Hydrogen bonding influence of 1,10-phenanthroline on five-coordinate high-spin imidazole-ligated iron(II) porphyrinates.
Hydrogen bonding influence of 1,10-phenanthroline on five-coordinate high-spin imidazole-ligated iron(II) porphyrinates.
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DOI：
10.1021/ic8009496
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发表时间：
2008-10-06
影响因子：
4.6
通讯作者：
Scheidt, W. Robert
中科院分区：
文献类型：
--
作者：
Hu, Chuanjiang;Noll, Bruce C.;Schulz, Charles E.;Scheidt, W. Robert
在新的五配位高自旋咪唑配位铁（II）卟啉配合物中，进一步研究了配位咪唑的氢键对铁的几何结构和电子结构的影响.以1，10-菲咯啉为氢键受体，合成了几种新的OEP和TPP衍生物，并用X射线晶体学和穆斯堡尔谱对其结构进行了表征。在所有三种新结构中，卟啉分子和1，10-菲咯啉分子的比例均为1：1。所有的卟啉衍生物都是5配位的2-甲基咪唑配位铁（II）物种。1，10-菲咯啉与配位的咪唑形成两个不等的氢键。Fe-Np和Fe-NIm键长以及铁原子在卟啉平面外的位移与咪唑配体中的类似。穆斯堡尔谱测量显示出显著的温度依赖性;对[Fe（OEP）（2-MeHIm）]·（1，10-phen）在外加磁场中获得的数据进行分析，得到负四极分裂值和大的不对称参数。所有的结构和穆斯堡尔性质表明，这些新的氢键物种具有相同的电子构型的咪唑连接物种。
The influence of a hydrogen bond to the coordinated imidazole on the geometric and electronic structure of iron has been further studied in new complexes of five-coordinate high-spin imidazole-ligated iron(II) porphyrinates. With 1,10-phenanthroline as the hydrogen-bond acceptor, several new species of OEP and TPP derivatives have been synthesized and characterized by X-ray crystallography and Möossbauer spectroscopy. In all three new structures, the porphyrin molecules and 1,10-phenanthroline molecules have been found with a ratio of 1:1. All the porphyrin derivatives are five-coordinate 2-methylimidazole-ligated iron(II) species. 1,10-phenanthroline is hydrogen bonded to the coordinated imidazole to form two unequal hydrogen bonds. The Fe–Np and Fe–NIm bond lengths, and displacement of the iron atom out of the porphyrin plane are similar to those in imidazole-ligated species. Möossbauer measurements showed remarkable temperature dependence; the analysis of the data obtained in applied magnetic field for [Fe(OEP)(2-MeHIm)]·(1,10-phen) gave a negative quadrupole splitting value and large asymmetry parameters. All the structural and Mössbauer properties suggest that these new hydrogen-bonded species have the same electronic configuration as imidazole-ligated species.
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DOI：
10.1038/nsb1297-1032
发表时间：
1997-12-01
期刊：
NATURE STRUCTURAL BIOLOGY
影响因子：
--
作者：
Gajhede, M;Schuller, DJ;Poulos, TL
通讯作者：
Poulos, TL
DOI：
10.1107/s0108768102003324
发表时间：
2002-06-01
影响因子：
1.9
作者：
Bruno, IJ;Cole, JC;Taylor, R
通讯作者：
Taylor, R
影响因子：
4.4
作者：
EICHER, H;TRAUTWEIN, A
通讯作者：
TRAUTWEIN, A
影响因子：
15
作者：
Hu, CJ;Roth, A;Scheidt, WR
通讯作者：
Scheidt, WR
影响因子：
4.4
作者：
HUYNH, BH;PAPAEFTHYMIOU, GC;WU, CS
通讯作者：
WU, CS