Abstract

The title complexes [Ru(N–P)₂(O–O)] (N–P = (8-diphenylphosphino)quinoline, O–O = dianion of oxalate (1), malonate (2) or 1,1-cyclobutandicarboxylate (3)), are prepared from [Ru(N–P)₂Cl₂] by a reaction with potassium salt of oxalate, malonate, or cyclobutandicarboxylate, respectively. All the complexes have distorted octahedral structures. Complex 1 crystallizes in the monoclinic system with space groups P2₁/c. On the other hand, complexes 2 and 3 crystallizes in the triclinic system with the space group P-1. The UV-Vis spectra of the three complexes are modeled using time dependent density function theory (TD–DFT).

中文翻译：

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[Ru(N-P)2(O-O)]配合物的合成、表征、计算研究和单晶结构

摘要

标题配合物 [Ru(N–P) ₂ (O–O)] (N–P = (8-diphenylphosphino)quinoline, O–O = 草酸 ( 1 )、丙二酸 ( 2 ) 或 1,1-环丁二羧酸的二价阴离子( 3 )) 分别由 [Ru(N–P) ₂ Cl ₂ ] 与草酸钾盐、丙二酸钾盐或环丁二羧酸钾盐反应制备。所有配合物都具有扭曲的八面体结构。配合物1在单斜晶系中结晶，空间群为P 2 ₁ / c。另一方面，配合物2和3在三斜晶系中结晶，空间群为P-1. 使用时间相关密度函数理论 (TD-DFT) 对三种复合物的 UV-Vis 光谱进行建模。