Different reaction mechanisms of SO4•− and •OH with organic compound interpreted at molecular orbital level in Co(II)/peroxymonosulfate catalytic activation system

•Dynamic electronic structure analysis is applied to reveal radical attack mechanism.•SO4•− has higher oxidation potential and electrophilic index than •OH.•Only SO4•−can react with CAF through single electron transfer reaction (SET) route.•Only •OH can react with CAF through hydrogen atom abstracti...

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Vydané v:	Water research (Oxford) Ročník 229; s. 119392
Hlavní autori:	Zhang, Huixuan, Xie, Chenghan, Chen, Long, Duan, Jun, Li, Fan, Liu, Wen
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Elsevier Ltd 01.02.2023
Predmet:	caffeine electron transfer hydrogen Hydroxyl radical hydroxyl radicals Lewis acids Molecular orbital oxidation Peroxymonosulfate Reaction mechanism Sulfate radical sulfates thermodynamics water Molecular orbital Reaction mechanism Sulfate radical Peroxymonosulfate Hydroxyl radical
ISSN:	0043-1354, 1879-2448, 1879-2448
On-line prístup:	Získať plný text
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