Intermolecular interaction between anthraquinone dyes and TEMPO mediator in dye-sensitized photocatalytic systems
作者： Hitoshi Kusama
DOI: 10.1016/J.JPAP.2020.100003
关键词: Alizarin 、 ALIZARIN RED 、 Reactivity (chemistry) 、 Photochemistry 、 Substituent 、 Anthraquinone 、 Chemistry 、 Thioanisole 、 Sulfonate 、 Intermolecular force
摘要: Abstract Intermolecular interactions of five anthraquinone dyes (1-hydroxyanthraquinone (1), 2-hydroxyanthraquinone (2), alizarin (3), sodium anthraquinone-2-sulfonate (4), and red S (5)) with 2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO) species were investigated using density functional theory. Hydroxyl groups at position 1 oxidized 3 involved in the intermolecular interactions, but those 2 not involved. For 4 5, most occurred sulfonate substituent. Although interaction sites varied among dyes, atomic charges completely transferred. Thus, we verified that regeneration by TEMPO/TEMPO+ redox mediator via a single-electron transfer process. Further, discussed influence on thioanisole oxidation reactivity over dye-sensitized TiO2 photocatalysts TEMPO (16% for 1, 63% 2, 75% 3, 2% 4) (Applied Catalysis B: Environmental 2019, 259, 118038) terms both number dye–TEMPO configurations sites.
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