Atmospheric oxidation of dichlorodiphenyltrichloroethane (DDT) initiated by OH and NO3 radicals: A quantum chemical investigation

To better understand the fate of dichlorodiphenyltrichloroethane (DDT) in the atmosphere, probing the oxidation mechanism of DDT is of great importance. The results showed that the degradation of DDT yields oxygenated DDT and nitrated DDT including phenolic compounds, dialdehyde, epoxides and nitrooxy-DDT. The rate constant for the reactions of DDT with OH and NO3 radicals are 1.16 x 10(-11) cm(3) molecule(-1) s(-1) and 2.19 x 10(-14) cm(3) molecule(-1) s(-1), respectively in the temperature of 298 K. The lifetime of DDT determined by the reactions with OH and NO3 radicals is 8.1 h.

Automated summary

The degradation of DDT in the atmosphere results in the formation of oxygenated DDT and nitrated DDT, which include phenolic compounds, dialdehyde, epoxides, and nitrooxy-DDT. The rate constants for the reactions of DDT with OH and NO3 radicals are 1.16 x 10(-11) cm(3) molecule(-1) s(-1) and 2.19 x 10(-14) cm(3) molecule(-1) s(-1), respectively, at a temperature of 298 K. The lifetime of DDT, determined by its reactions with OH and NO3 radicals, is 8.1 hours.