Hydrogen-Bonding Effects in Five-Coordinate High-Spin Imidazole-Ligated Iron(II) Porphyrinates

被引:3
作者
Hu, Chuanjiang [1 ,2 ]
Noll, Bruce C. [2 ]
Schulz, Charles E. [3 ]
Scheidt, W. Robert [2 ]
机构
[1] Soochow Univ, State & Local Joint Engn Lab Novel Funct Polymer, Coll Chem Chem Engn & Mat Sci, Suzhou 215123, Jiangsu, Peoples R China
[2] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA
[3] Knox Coll, Dept Phys, Galesburg, IL 61401 USA
基金
美国国家卫生研究院;
关键词
HIGH MAGNETIC-FIELD; HEME-PROTEINS; ELECTRONIC-STRUCTURE; SPECTROSCOPIC PROPERTIES; HORSERADISH-PEROXIDASE; SYNTHETIC ANALOGS; FERROUS IRON; QUADRUPOLE SPLITTINGS; DEOXYMYOGLOBIN MODEL; CRYSTAL-STRUCTURE;
D O I
10.1021/acs.inorgchem.7b02744
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
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 Mossbauer spectroscopy. All new complexes have also been, characterized by X-ray structure determinations. The Fe-N-p and Fe-N-Im 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 Mossbauer 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.
引用
收藏
页码:793 / 803
页数:11
相关论文
共 55 条
[1]   ENHANCEMENT OF LIGAND-BINDING BY IRON(III) DEUTEROPORPHYRIN (IX) DIMETHYL ESTER VIA INTERACTION WITH 1,10-PHENANTHROLINE AT A SITE REMOTE FROM METAL-ION [J].
ABBOTT, EH ;
RAFSON, PA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (23) :7378-7379
[2]   ON PREPARATION OF METALLOPORPHYRINS [J].
ADLER, AD ;
LONGO, FR ;
KAMPAS, F ;
KIM, J .
JOURNAL OF INORGANIC & NUCLEAR CHEMISTRY, 1970, 32 (07) :2443-&
[3]   A SIMPLIFIED SYNTHESIS FOR MESO-TETRAPHENYLPORPHIN [J].
ADLER, AD ;
LONGO, FR ;
FINARELLI, JD ;
GOLDMACH.J ;
ASSOUR, J ;
KORSAKOF.L .
JOURNAL OF ORGANIC CHEMISTRY, 1967, 32 (02) :476-+
[4]   HYDROGEN-BONDING TO COORDINATED IMIDAZOLE - ASSOCIATION OF 1,10-PHENANTHROLINE AND OTHER BASES WITH BIS(IMIDAZOLE)METALLOPORPHYRINS [J].
BALCH, AL ;
WATKINS, JJ ;
DOONAN, DJ .
INORGANIC CHEMISTRY, 1979, 18 (05) :1228-1231
[5]   The catalytic pathway of horseradish peroxidase at high resolution [J].
Berglund, GI ;
Carlsson, GH ;
Smith, AT ;
Szöke, H ;
Henriksen, A ;
Hajdu, J .
NATURE, 2002, 417 (6887) :463-468
[6]   STRUCTURAL, MOSSBAUER, AND EPR INVESTIGATIONS ON 2 OXIDATION-STATES OF A 5-COORDINATE, HIGH-SPIN SYNTHETIC HEME - QUANTITATIVE INTERPRETATION OF ZERO-FIELD PARAMETERS AND LARGE QUADRUPOLE SPLITTING [J].
BOMINAAR, EL ;
DING, XQ ;
GISMELSEED, A ;
BILL, E ;
WINKLER, H ;
TRAUTWEIN, AX ;
NASRI, H ;
FISCHER, J ;
WEISS, R .
INORGANIC CHEMISTRY, 1992, 31 (10) :1845-1854
[7]  
BUCHLER JW, 1975, PORPHYRINS METALLOPO, pCH5
[8]  
Collman J. P., 1974, 167 NAT M AM CHEM SO
[9]   SYNTHESES OF FERROUS-PORPHYRIN COMPLEXES - HYPOTHETICAL MODEL FOR DEOXYMYOGLOBIN [J].
COLLMAN, JP ;
REED, CA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (06) :2048-2049
[10]   Molecular Designs for Controlling the Local Environments around Metal Ions [J].
Cook, Sarah A. ;
Borovik, A. S. .
ACCOUNTS OF CHEMICAL RESEARCH, 2015, 48 (08) :2407-2414