Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi'an, People's Republic of China.
Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong S.A.R., P. R. China.
Sci Rep. 2017 Aug 22;7(1):9154. doi: 10.1038/s41598-017-09192-3.
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.
在这项工作中,我们报告了一个结合时间分辨光谱和密度泛函理论计算的研究,研究了 2-(对羟甲基)苯基蒽醌(PPAQ),其中苄醇部分与化合物 2-(1-羟乙基)9,10-蒽醌(HEAQ)相比,明显远离 AQ 酮基团,以便研究 PPAQ 在几种溶剂中的光物理和光化学反应,特别是在 pH 2 水溶液中的光氧化还原反应。结果表明,PPAQ 通过两步途径发生光氧化还原反应,并且与相关的 HAEQ 分子相比,PPAQ 的光氧化还原反应效率较低是由于苄醇部分和 AQ 酮部分之间的距离较长。