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Hydrogen-Bonding Effects in Five-Coordinate High-Spin Imidazole-Ligated Iron(II) Porphyrinates
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2017-12-27 00:00:00 , DOI: 10.1021/acs.inorgchem.7b02744 Chuanjiang Hu 1, 2 , Bruce C. Noll 2 , Charles E. Schulz 3 , W. Robert Scheidt 2
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2017-12-27 00:00:00 , DOI: 10.1021/acs.inorgchem.7b02744 Chuanjiang Hu 1, 2 , Bruce C. Noll 2 , Charles E. Schulz 3 , W. Robert Scheidt 2
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The influence of hydrogen binding to the N–H group of coordinated imidazole in high-spin iron(II) porphyrinates has been studied. The preparation and characterization of new complexes based on [Fe(TPP)(2-MeHIm)] (TPP is the dianion of tetraphenylporphyrin) are reported. The hydrogen bond acceptors are ethanol, tetramethylene sulfoxide, and 2-methylimidazole. The last acceptor, 2-MeHIm, was found in a crystalline complex with two [Fe(TPP)(2-MeHIm)] sites, only one of which has the 2-methylimidazole hydrogen bond acceptor. This latter complex has been studied by temperature-dependent Mössbauer spectroscopy. All new complexes have also been characterized by X-ray structure determinations. The Fe–NP and Fe–NIm bond lengths, and displacement of the Fe atom out of the porphyrin plane are similar to, but marginally different than, those in imidazole-ligated species with no hydrogen bond. All the structural and Mössbauer properties suggest that these new hydrogen-bonded species have the same electronic configuration as imidazole-ligated species with no hydrogen bond. These new studies continue to show that the effects of hydrogen bonding in five-coordinate high-spin iron(II) systems are subtle and challenging to understand.
中文翻译：
五配位高旋转咪唑连接的卟啉铁（II）的氢键键合效应
已经研究了氢结合对高自旋卟啉铁（II）中配位咪唑的NH基团的影响。报道了基于[Fe（TPP）（2-MeHIm）]（TPP是四苯基卟啉的二价阴离子）的新配合物的制备和表征。氢键受体是乙醇，四亚甲基亚砜和2-甲基咪唑。在具有两个[Fe（TPP）（2-MeHIm）]位的晶体复合物中发现了最后一个受体2-MeHIm，其中只有一个具有2-甲基咪唑氢键受体。后一种复合物已通过依赖温度的穆斯堡尔光谱法进行了研究。所有新的配合物也已通过X射线结构测定得到了表征。Fe–N P和Fe–N Im键长和Fe原子在卟啉平面外的位移与没有氢键的咪唑连接物种相似，但有一点不同。所有的结构和Mössbauer性质均表明，这些新的氢键键合物种与没有氢键的咪唑键合物种具有相同的电子构型。这些新的研究继续表明，氢键在五配位高自旋铁（II）系统中的作用微妙而又难以理解。
更新日期：2017-12-27
中文翻译：
五配位高旋转咪唑连接的卟啉铁（II）的氢键键合效应
已经研究了氢结合对高自旋卟啉铁（II）中配位咪唑的NH基团的影响。报道了基于[Fe（TPP）（2-MeHIm）]（TPP是四苯基卟啉的二价阴离子）的新配合物的制备和表征。氢键受体是乙醇，四亚甲基亚砜和2-甲基咪唑。在具有两个[Fe（TPP）（2-MeHIm）]位的晶体复合物中发现了最后一个受体2-MeHIm，其中只有一个具有2-甲基咪唑氢键受体。后一种复合物已通过依赖温度的穆斯堡尔光谱法进行了研究。所有新的配合物也已通过X射线结构测定得到了表征。Fe–N P和Fe–N Im键长和Fe原子在卟啉平面外的位移与没有氢键的咪唑连接物种相似，但有一点不同。所有的结构和Mössbauer性质均表明，这些新的氢键键合物种与没有氢键的咪唑键合物种具有相同的电子构型。这些新的研究继续表明，氢键在五配位高自旋铁（II）系统中的作用微妙而又难以理解。
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