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Ruthenium(II) complexes with quinoline carboxylate as a co-ligand

机译:钌(II)与喹啉羧酸盐作为共配体的配合物

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Ruthenium(II) complexes with the general formulas [Ru(H/Cl)(CO)(PPh _3)_2(L)] and cis/trans-[Ru(PPh_3)_ 2(-L)_2] (L = isoquinoline-1-carboxylate or quinoline-2-carboxylate) were synthesized and characterized by IR, ~1H, ~(13)C and ~(31)P NMR, UV-Vis spectroscopy and X-ray crystallography. The experimental studies were completed by quantum chemical calculations, which were used to describe the nature of the interactions between the ligands and the central ion, and the orbital compositions in the frontier electronic structures. Based on a molecular orbital scheme, the calculated results allowed the interpretation of the UV-Vis spectra obtained at an experimental level. The luminescence properties of the complexes were determined.
机译:具有通式[Ru(H / Cl)(CO)(PPh _3)_2(L)]和顺/反-[Ru(PPh_3)_2 2(-L)_2]的钌(II)配合物(L =异喹啉合成了-1-羧酸盐或喹啉-2-羧酸盐,并通过IR,〜1H,〜(13)C和〜(31)P NMR,UV-Vis光谱和X射线晶体学进行了表征。通过量子化学计算完成了实验研究,量子化学计算用于描述配体与中心离子之间相互作用的性质以及前沿电子结构中的轨道组成。基于分子轨道方案,计算结果可以解释在实验水平获得的UV-Vis光谱。测定配合物的发光性质。

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