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首页> 外文期刊>Chemistry: A European journal >Ruthenocene-Type Complexes of N-Fused Porphyrins
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Ruthenocene-Type Complexes of N-Fused Porphyrins

机译：N融合卟啉的钌茂茂型配合物

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摘要

Ruthenocene-type hybrid complexes with N-fused porphyrinato ligands, [Ru(NFp)Cp] (NFp=N-fused porphyrin, Cp=cyclopentadienyl), have been prepared and characterized by NMR and UV/Vis/NIR spectroscopy, cyclovoltammetry, and X-ray crystallography. [Ru(NFp)Cp] is a common low-spin ruthenium(II)complex and shows strong aromaticity. The Ru-Cp distance (1.833 angstrom) in [Ru(NFp)Cp] is comparable to that in [RuCp2] (1.840 angstrom). DFT calculations on [Ru(NFp)Cp] showed the unequivocal contribution of the RuCp moiety as well as the NFp moiety to both the HOMO and LUMO, constructing a three-dimensional d-pi conjugated system. The HOMO-LUMO gaps of [Ru(NFp)Cp] are insensitive to the substituents on the NFp ligand, which is illustrated spectroscopically as well as theoretically. This is in sharp contrast to the ligand precursor, the N-fused porphyrin, in which the HOMO-LUMO gap is affected by substituents in a similar manner to standard porphyrins and related macrocycles.
机译：制备了具有N-融合卟啉配体[Ru（NFp）Cp]（NFp = N-融合卟啉，Cp =环戊二烯基）的钌茂茂型杂合配合物，并通过NMR和UV / Vis / NIR光谱，环伏分析和X射线晶体学。 [Ru（NFp）Cp]是常见的低旋转钌（II）配合物，并显示出很强的芳香性。 [Ru（NFp）Cp]中的Ru-Cp距离（1.833埃）与[RuCp2]中的Ru-Cp距离（1.840埃）相当。 [Ru（NFp）Cp]的DFT计算表明RuCp部分以及NFp部分对HOMO和LUMO都有明确的贡献，从而构建了三维d-pi共轭体系。 [Ru（NFp）Cp]的HOMO-LUMO间隙对NFp配体上的取代基不敏感，这在光谱和理论上都得到了说明。这与配体前体N-稠合卟啉形成鲜明对比，在后者中，HOMO-LUMO间隙受取代基影响的程度与标准卟啉和相关大环类似。

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