Oxidation reactions are among the most important reactions in nature and they involve species such as hydroxyl and hydroperoxide radicals (HOx), ozone (O3), hydrogen peroxide (H2O2), hydrogen polyoxides (H2Ox, x>2), and the superoxide and ozonide anions (O2- and O3-) among others. These species are described globally under the acronym ROS (reactive oxygen species) and play an important role in the chemistry of the Earthâ€™s atmosphere, in environmental and in biological processes.
What we do
We are mainly interested in investigating the reactivity of the reactive oxygen species in different environments although our main interest lies in the context of atmospheric chemistry. For instance we have simulated the behaviour of species like hydrogen polioxides or hydroperoxyl radical in gas phase and in water environment. We have also investigated the superoxide and ozonide anions in the context of the decomposition of ozone in water, and we have found that intermediates like the HO4- anion have very different electronic and structural features depending on the environment. This radical anion can be viewed as being formed by interaction of the HO2 radical and O2 anion, retaining its own features. This suggests that chemically related structures could play important roles in living organisms
Josep M. Anglada, Marilia Martins-Costa, Joseph S. Francisco, and Manuel F. Ruiz-LÃ³pez, Interconnection of Reactive Oxygen Species Chemistry across the Interfaces of Atmospheric, Environmental, and Biological Processes., Acc. Chem. Res, 2015, 48, 575
Josep M. Anglada, Miquel Torrent-Sucarrat,[aManuel F. Ruiz-Lopez, and Marilia Martins-Costa, Is the HO4- Anion a Key Species in the Aqueous-Phase Decomposition of Ozone?, Chem. Eur. J, 2012, 18, 13435
Marilia Martins-Costa, Josep M. Anglada, Manuel F. Ruiz-LÃ³pez, Structure, stability and dynamics of hydrogen polyoxides, Int. J.. Quantum Chem, 2011, 111, 1543
M.T.C. Martins-Costa, J. M. Anglada, and M. F. Ruiz-LÃ³pez, Structure of hydrogen tetroxide in gas phase and in aqueous environments: relationship to the hydroperoxyl radical self-reaction, Struct. Chem, 2016, 27, 231