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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Copper(II) and zinc(II) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands
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Copper(II) and zinc(II) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands

机译:单 - 和双1,2,3-三唑取代的杂环配体的铜(II)和锌(II)配合物

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摘要

Chelating 1,4-disubstituted mono- (8a-8d) and bis-1,2,3-triazole-based (9a-11a) ligands were prepared by regioselective copper(i)-catalysed 1,3-dipolar cycloaddition of terminal alkynes with aromatic azides, together with bioconjugate13asynthesized by amide coupling ofl-phenylalanine methyl ester to11a. Cu(ii) and Zn(ii) complexes were prepared and single crystal structures were determined for complexes8a(Cu),8d(Cu),9c(Cu)and10c(Cu), as well as the free ligands10aand10c. Thein situprepared Zn(ii) complexes were studied by NMR spectroscopy, while the stoichiometry of the Cu(ii) complexes in solution was determined by UV-Vis titrations and confirmed by the electronic structure DFT calculations at the (SMD)/M05-2X/6-31+G(d)/LanL2DZ+ECP level of theory.
机译:通过区域选择性铜(I)制备螯合1,4-二取代的单 - (8A-8D)和基于BIS-1,2,3-三唑基(9A-11A)配体 - 丙酮醛酸的1,3-偶极环加成的催化剂 用芳族叠氮化物,与酰基丙氨酸甲酯酰胺酰胺偶联的酰胺偶联的生物缀合物。 制备Cu(II)和Zn(II)复合物,并测定对复合物8a(Cu),8d(Cu),9℃(Cu)和10℃(Cu)的单晶结构,以及游离配体10A和10℃。 通过NMR光谱研究了本地原位Zn(II)络合物,而通过UV-Vis滴定法测定溶液中Cu(II)络合物的化学计量,并通过电子结构DFT计算(SMD)/ M05-2X / 6-31 + g(d)/ lanl2dz + ECP理论水平。

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