Biological assays, electrochemical behavior, and theoretical DFT calculations of Ru(II) complexes of chiral phosphinite based based on β-amino alcohols: Transfer hyrogenation of ketones using a HCOOH/Et3N mixture

Journal of Molecular Structure(2024)

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摘要
•The ruthenium complexes were studied theoretically using DFT/CAM-B3LYP level.•Hardness and HOMO-LUMO gap of the complexes including benzene fragment were lower.•The complexes had antioxidant, antimicrobial and DNA binding activities.•The ruthenium-based variants have different redox potentials.•Complex 8 was used in ATH in the presence of HCOOH-Et3N mixture as reducing agent.
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关键词
Asymmetric transfer hydrogenation (ATH),Β-amino alcohols,DFT and CAM-B3LYP,Electrochemical properties,CA and OCPA,Biological assay
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