A DFT study of the reactions of O-3 with Hg degrees or Br-

作者：Castro Ludovic; Dommergue Aurelien; Ferrari Christophe; Maron Laurent^*

来源：Atmospheric Environment, 2009, 43(35): 5708-5711.

DOI：10.1016/j.atmosenv.2009.07.038

• Mercury
• Ozone
• Bromide
• DFT modelling

In the mid 1980s the study of ozone reactivity gained a significant interest with the discoveries of the stratospheric ozone hole (Farman et al., 1985) and of the ozone depletion events in the polar boundary layer (Oltmans et al., 1989). In the stratosphere, the mechanism involves heterogeneous reactions on polar stratospheric clouds that lead to chlorine activation (Solomon et al., 1986). In contrast, tropospheric ozone depletion occurring during polar springtime rather involves reactive bromine species. They are released during a series of photochemical and heterogeneous reactions often called the bromine explosion (see the review of Simpson et al., 2007). In this reaction sequence, an essential step is the generation of photolyzable Br-2, the precursor of two Br atoms, via the multiphasic reaction (1):
HOBr + Br- + H+ -> H2O + Br-2 (1)
The production of reactive HOBr could occur with the oxidation of BrO by HO2.

• 出版日期2009-11