亜硝酸還元酵素活性中心モデル錯体の構造化学（4）－CubpaBzNO2錯体のＸ線結晶構造解析

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The crystal structure of a model complex for the active center in nitrite reductase, [Cu(II)(bis(2-pyridylmethyl-6-R)ethylamine)NO2 (R = H, Me) complexes have been determined by X-ray diffraction method at －160 degrees centigrade. Two complexes have the different substituent in the positions next to the nitrogen of pyridine moiety in bis(2-pyridylmethyl)amine (bpa) ligand. The substituent is hydrogen in complex 1, and methyl group in complex 2. The difference in these substituents about the bulkiness and the electrostatic property resulted in the different coordination geometries around the central copper atoms. In complex 1, copper atom is coordinated by three nitrogen atoms in bpa ligand, two oxygen atoms in nitrite ion, and one oxygen of ClO4－ ion. In complex 2, ClO4－ ion is replaced by the crystallization water. Another big difference between the complexes is the reverse geometry of N2 atom in bpa ligand. The nitrite ion is concluded to take an asymmetric chelate coordination in both complexes.
2010-06-30