• Chemistry, Medicine
  • Published in
    Physical chemistry chemical…
    2010
  • DOI:10.1039/b916659a

The reactions of SO3 with HO2 radical and H2O...HO2 radical complex. Theoretical study on the atmospheric formation of HSO5 and H2SO4.

@article{Gonzlez2010TheRO,
  title={The reactions of SO3 with HO2 radical and H2O...HO2 radical complex. Theoretical study on the atmospheric formation of HSO5 and H2SO4.},
  author={Javier Gonz{\'a}lez and Miquel Torrent-Sucarrat and Josep Maria Anglada},
  journal={Physical chemistry chemical physics : PCCP},
  year={2010},
  volume={12 9},
  pages={
          2116-25
        }
}
The influence of a single water molecule on the gas-phase reactivity of the HO(2) radical has been investigated by studying the reactions of SO(3) with the HO(2) radical and with the H(2)O...HO(2) radical complex. The naked reaction leads to the formation of the HSO(5) radical, with a computed binding energy of 13.81 kcal mol(-1). The reaction with the H(2)O...HO(2) radical complex can give two different products, namely (a) HSO(5) + H(2)O, which has a binding energy that is computed to be 4.76… CONTINUE READING