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Metal-ion interactions with sugars.Crystal structure and FT-IR study of PrCl_3-D-ribose complex

机译:金属离子与糖的相互作用.PrCl_3-D-核糖复合物的晶体结构和FT-IR研究

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A single-crystal of PrCl_3 centre dot D-ribose centre dot 5H_2O was obtained from a methanol-water solution and its structure determined by X-ray crystallography.Two configurations of the complex,as a pair of isomers,were found in the single-crystal in a disordered state,which differs from that reported previously.The ligand of one of the complexes is alpha-D-ribopyranose in the ~4C_1 conformation,and the ligand of the other is beta-D-ribopyranose in the ~1C_4 conformation.The alpha:beta anomeric ratio is 54:46.Both ligands of the two isomers provide three hydroxyl groups in an axial-equatorial-axial orientation for coordination.The Pr~(3+) ion is nine-coordinated,with five Pr-O bonds from water molecules,three Pr-O bonds from the hydroxyl groups of the D-ribopyranose and one Pr-Cl bond from chloride ion.The hydroxyl groups,water molecules,and chloride ions form an extensive hydrogen-bond network.The IR spectral C-C,O-H,C-O,and C-O-H vibrations are shifted in the complex,compared to those in D-ribose,and the IR results are in accord with those obtained from the X-ray diffraction study.
机译:从甲醇水溶液中获得了PrCl_3中心点D-核糖中心点5H_2O的单晶,并通过X射线晶体学确定了其结构。在该单分子结构中发现了两种构型,即一对异构体。晶体的无序状态与先前报道的不同。一种配合物的配体是〜4C_1构象的α-D-核糖吡喃糖,另一种配合物是〜1C_4构象的β-D-核糖吡喃糖。 α:β端基异构体比例为54:46。两个异构体的两个配体在轴向-赤道-轴向取向上提供三个羟基以进行配位.Pr〜(3+)离子为九配位,五个Pr-O来自水分子的键,来自D-核糖吡喃糖的羟基的三个Pr-O键和来自氯离子的一个Pr-Cl键。羟基,水分子和氯离子形成广泛的氢键网络。 CC,OH,CO和COH振动在复合物中移动,与D-核糖中的糖,IR结果与从X射线衍射研究获得的结果一致。

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