Abstract Ruthenium complexes containing catecholamines and catechol as ligands with general formula [Ru(NH3)4(catecholamine)]Cl, where “catecholamine” is isoproterenol (in complex 1), dopamine (in complex 2), noradrenaline (in complex 3), catechol (in complex 4), or adrenaline (in complex 5), were synthesized. The complexes were characterized by vibrational and NMR spectroscopies, mass spectrometry, cyclic voltammetry, and spectroeletrochemistry. The electronic and electrochemical features were analyzed in terms of the electronic density, which is affected by ruthenium complexation and different substituent groups on the aromatic ring. Resonance Raman spectra displayed bands assigned to the Ru(II)-semiquinone stretching frequencies, which agreed with the charge transfer band. Theoretical calculations helped to evaluate the metal-non-innocent ligand orbital mixing. All the results suggested that Ru(II)-semiquinone complexes are formed, and that the unpaired electron is delocalized between the metal ion and the non-innocent ligand. Graphical Abstract

中文翻译：

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通过 1H-NMR、理论计算和共振拉曼研究儿茶酚胺对顺磁性 [Ru(NH3)4(儿茶酚胺)]+ 配合物电子离域的影响

摘要 含有儿茶酚胺和儿茶酚作为配体的钌配合物，通式为[Ru(NH3)4(儿茶酚胺)]Cl，其中“儿茶酚胺”是异丙基肾上腺素（配合物1）、多巴胺（配合物2）、去甲肾上腺素（配合物3）、合成了儿茶酚（在复合物 4 中）或肾上腺素（在复合物 5 中）。通过振动和核磁共振光谱、质谱、循环伏安法和光谱电化学对配合物进行表征。从电子密度方面分析了电子和电化学特征，电子密度受钌络合和芳环上不同取代基的影响。共振拉曼光谱显示分配给 Ru(II)-半醌拉伸频率的带，这与电荷转移带一致。理论计算有助于评估金属-非无辜配体轨道混合。所有结果表明，形成了 Ru(II)-半醌配合物，并且未配对电子在金属离子和非无辜配体之间离域。图形概要