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Time-Resolved Spectroscopic Study on the Photoredox Reaction of 2-(p-Hydroxymethyl)phenylAnthraquinone

机译:2-(对羟基甲基)苯基蒽醌的光氧化还原反应的时间分辨光谱研究

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摘要

In this work, we report a combined time-resolved spectroscopic and density functional theory computational study on 2-(p-hydroxymethyl)phenylanthraquinone (PPAQ) in which the benzyl alcohol moiety is significantly farther away from the AQ ketone group compared to the compound 2-(1-hydroxyethyl) 9,10-anthraquinone (HEAQ) so as to investigate the photophysical and photochemical reactions of PPAQ in several solvents, especially for the photoredox reaction in a pH 2 aqueous solution. The results here indicate that PPAQ undergoes the photoredox reaction via a two-step pathway and that the low efficiency of the photoredox reaction of PPAQ compared to the related HEAQ molecule is caused by the longer distance between the benzyl alcohol moiety and the AQ ketone moieties.
机译:在这项工作中,我们报告了结合时间分辨光谱和密度泛函理论对2-(对羟甲基)苯基蒽醌(PPAQ)进行的计算研究,其中与化合物2相比,苯甲醇部分明显远离AQ酮基团。 -(1-羟乙基)9,10-蒽醌(HEAQ),以便研究PPAQ在几种溶剂中的光物理和光化学反应,尤其是在pH 2水溶液中的光氧化还原反应。此处的结果表明,PPAQ通过两步途径进行光氧化还原反应,与相关的HEAQ分子相比,PPAQ的光氧化还原反应效率低是由于苯甲醇部分与AQ酮部分之间的距离较长所致。

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