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Structure, spectral properties and photodynamic reaction − complexes (hQN = 8-hydroxyquinoline and its derivatives) of three [RuCl (QN) no] as potential no donor drugs

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Document pages: 9 pages

Abstract: The structure and spectral properties of three ruthenium complexes with 8-hydroxyquinoline (hQN) and its derivatives 2-methyl-8-quinoline (h2mqn) and 2-chloro-8-quinoline (h2cqn) as ligands (QN = hQN, 2mqn or 2cqn) were calculated at B3LYP level by density functional theory (DFT). The UV-vis and IR spectra of three [RuCl (QN) no] were calculated by DFT. The calculated spectra are in good agreement with the experimental spectra. The light induced no release was confirmed by electron paramagnetic resonance (EPR) spin capture, and the dynamic process of no dissociation under light was monitored by time-resolved infrared (IR) spectroscopy. In addition, energy levels and related components frontier orbitals were further analyzed to understand the electronic effects of the substituent groups at the 2nd position of the ligands on their photochemical reactivity. This study provides the basis for the design of NO donors with potential applications in photodynamic therapy.

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