Reaction Mechanism of 4-Chlorobiphenyl and the NO3 Radical: An Experimental and Theoretical Study.
作者： Jin Shi , Wenlong Bi , Shenmin Li , Wenbo Dong , Jianmin Chen
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摘要: Experiment and theoretical chemistry calculations were conducted to elucidate the mechanism of reaction between 4-chlorobiphenyl (4-CB) NO3 radical. The degradation PCBs was investigated mechanistically through transient absorption spectroscopy technology high-accuracy calculation by using 4-CB as model. Laser flash photolysis (LFP) experiments performed at 355 nm. main intermediate analyzed identified be a charge transfer complex (CTC). final products GC–MS analysis. ground states excited reactants calculated density functional theory (DFT) method. bands 400 700 nm show good agreement with experimental results. ratio absorbance is 1.6, value 1.8. Analysis population indicated that one unit from NO3. entire process divid...
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