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4273183 
Journal Article 
Debromination of Bromobenzene Induced by Hydrated Electrons in Aqueous Solution 
Yuan, H; Pan, H; Shi, Jin; Li, H; Dong, W 
2014 
Yes 
Asian Journal of Chemistry
ISSN: 0970-7077
EISSN: 0975-427X 
26 
14 
4211-4214 
English 
WOS:000344361100014 
The nanosecond laser flash photolysis (LFP) experiments were adopted to investigate the kinetics and mechanisms of the reaction between bromobenzene and hydrated electrons (e(aq)) in aqueous solution. The results showed that the rate constants of first-order and second-order reaction were 6.3 x 10(5) s(-1) and 1.7 x 10(10) L mol(-1) s(-1), respectively. The final products were biphenyl, bromobiphenyl and Br-, which determined by gas chromatography-mass spectrometry (GC-MS) and ion chromatography (IC). The optimal structure of bromobenzene anion radicals, the bond lengths and bond angles were calculated and analyzed by time-dependent density functional theory (TD-DFT)-UB3LYP method and the primary absorption peaks of the anion radicals lied in the ranges of 250-600 nm. The main reaction pathway was speculated that bromobenzene molecules generated unstable anion radicals when attacked by hydrated electrons and then the molecules debrominated to generate benzene radicals and Br-. 
Laser flash photolysis; Hydrated electrons; Bromobenzene; Anion radicals