首页> 外文期刊>Molbank >( OC -6-35- A )-Aquadicarbonylchlorido[2-(2-pyridyl)-1,8-naphthyridine- ???o ; 2 N 1 , N 2 ]ruthenium(II) hexafluoridophosphate 2,2 ?¢???2 -Bipyridine
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( OC -6-35- A )-Aquadicarbonylchlorido[2-(2-pyridyl)-1,8-naphthyridine- ???o ; 2 N 1 , N 2 ]ruthenium(II) hexafluoridophosphate 2,2 ?¢???2 -Bipyridine

机译:(OC -6-35-A)-二羰基氯基[2-(2-吡啶基)-1,8-萘啶-O 2 N 1,N 2]六氟磷酸钌(II)2,2 ¢ ¢ 2-二吡啶

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摘要

A dicarbonylruthenium(II) complex containing bidentate 2-(2-pyridyl)-1,8-naphthyridine, as well as monodentate aqua and chlorido ligands, were isolated and characterized using spectroscopic techniques and single crystal X-ray diffraction. These data indicate that geometrical isomerization occurs during the substitution reaction involving a superacid. Density functional theory (DFT) calculations were performed on the plausible geometrical isomers. The DFT-optimized structures and calculated infrared spectra suggest that the experimentally obtained structure is stable.
机译:分离并使用光谱技术和单晶X射线衍射对包含二齿2-(2-吡啶基)-1,8-萘啶以及单齿水和氯配体的二羰基钌(II)配合物进行分离和表征。这些数据表明几何异构化发生在涉及过酸的取代反应中。对可能的几何异构体进行密度泛函理论(DFT)计算。 DFT优化的结构和计算得出的红外光谱表明,实验获得的结构是稳定的。

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