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首页> 外文期刊>Polyhedron: The International Journal for Inorganic and Organometallic Chemistry >Novel Re(I) tricarbonyl complexes of chelating ligands with aromatic N-heterocycle ring and aliphatic amine donor - Synthesis, spectroscopic characterization, X-ray structure and DFT calculations
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Novel Re(I) tricarbonyl complexes of chelating ligands with aromatic N-heterocycle ring and aliphatic amine donor - Synthesis, spectroscopic characterization, X-ray structure and DFT calculations

机译:具有芳香族N-杂环和脂肪族胺供体的螯合配体的新型Re(I)三羰基配合物-合成,光谱表征,X射线结构和DFT计算

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摘要

Three novel tricarbonyl rhenium(I) complexes of chelating ligands with aromatic N-heterocycle ring and aliphatic amine donor (2-aminomethylpyridine (ampy), 2-(2-aminophenyl)-1H-benzimidazole (apbi) and 2-(2-aminophenyl) benzothiazole (apbt)) have been synthesized and characterized. The compounds [Re(CO)_3(ampy)Cl] (1), [Re(CO)_3(apbi)Cl] (2) and [Re(CO)_3(apbt)Cl] (3) have been identified by IR, UV-Vis spectroscopy and X-ray analysis. The experimental studies on the complexes 1, 2 and 3 have been accompanied computationally by the density functional theory (DFT) calculations.
机译:螯合配体与芳族N-杂环和脂族胺供体的三种新型三羰基rh(I)配合物(2-氨基甲基吡啶(ampy),2-(2-氨基苯基)-1H-苯并咪唑(apbi)和2-(2-氨基苯基) )苯并噻唑(apbt))已合成并表征。化合物[Re(CO)_3(ampy)Cl](1),[Re(CO)_3(apbi)Cl](2)和[Re(CO)_3(apbt)Cl](3)已被鉴定为红外,紫外-可见光谱和X射线分析。配合物1、2和3的实验研究已经通过密度泛函理论(DFT)计算进行了计算。

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