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A Model Electron Transfer Reaction in Confined Aqueous Solution
ChemPhysChem ( IF 2.9 ) Pub Date : 2021-08-24 , DOI: 10.1002/cphc.202100351
Jean-François Olivieri 1 , Damien Laage 1 , James T Hynes 1, 2
Affiliation  

Faster in confinement! We have studied, via simulation and analysis, the reorganization energy and free energy reaction barrier for a model electron transfer reaction occurring at various locations within liquid water confined between two graphene sheets. We find that the acceleration of the reaction in the interfacial region by reduction of both these quantities is due not to significant local dielectric constant reduction, but to desolvation of the reaction complex.
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中文翻译:

封闭水溶液中的模型电子转移反应

坐月子更快!我们通过模拟和分析研究了在两个石墨烯片之间的液态水中不同位置发生的模型电子转移反应的重组能和自由能反应势垒。我们发现通过减少这两个量来加速界面区域的反应不是由于显着的局部介电常数降低,而是由于反应复合物的去溶剂化。
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更新日期:2021-08-24
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