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Research

Spectroscopy and photochemistry of interest in Earth's atmosphere
  • Determine the spectroscopical properties of small molecules present in the Earth’s atmosphere
  • Photo-response mechanisms of pollutants in the troposphere
  • Atmospheric cycle of Hg

Spectroscopy and Photochemistry

Highlighted publications

  • “New photochemistry of oxidized Hg(I) and Hg(II) species reveals missing mercury oxidation in the troposphere”
    Alfonso Saiz-Lopez, Oleg Travnikov, Jeroen E. Sonke, Colin P. Thackrayd, Daniel J. Jacob, Javier Carmona-García, Antonio Francés-Monerris, Daniel Roca-Sanjuán, A. Ulises Acuña, Juan Z. Dávalos, Carlos A. Cuevas, Martin Jiskrac, Feiyue Wang, Johannes Bieseri, John M. C. Planej, and Joseph S. Francisco
    Proceedings of the National Academy of Science of the U.S.A. (2020), under review
  • “Photodissociation Mechanisms of Major Mercury(II) Species in the Atmospheric Chemical Cycle of Mercury”
    Francés-Monerris, A.; Carmona-García, J.; Acuña, A.Ulises; Dávalos, J.Z. ; Cuevas, Carlos A.; Kinnison, D.E.; Francisco, J.S.; Saiz-Lopez, A. ; Roca-Sanjuán, D.
    Angewandte Chemie International Edition (2019), Vol. 58, 10248-10259
  • “Gas-Phase Photolysis of HG(I) Radical Species: A New Atmospheric Mercury Reduction Process”
    Alfonso Saiz-Lopez, A. Ulises Acuña, Tarek Trabelsi, Javier Carmona-García, Juan Z. Dávalos, Daniel Rivero, Carlos A. Cuevas, Douglas E. Kinnison, Sebastian P. Sitkiewicz, Daniel Roca-Sanjuán and Joseph S- Francisco
    Journal of the American Chemical Society (2019), Vol. 141, 8698-8702
  • “Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition”
    Alfonso Saiz-Lopez, Sebastian P. Sitkiewicz, Daniel Roca-Sanjuán, Josep M. Oliva-Enrich, Juan Z. Dávalos, Rafael Notario, Martin Jiskra, Yang Xu, Feiyue Wang, Colin P. Thackray, Elsie M. Sunderland, Daniel J. Jacob, Oleg Travnikow, Carlos A. Cuevas, A. Ulises Acuña, Daniel Rivero, John M. C. Plane, Douglas E. Kinnison and Jeroen E. Sonke
    Nature Communications  (2018), Vol. 9, 4796
Computational and Theoretical Bio- and Chemiluminescence
  • Determine the mechanisms of chemiluminescence and bioluminescence
  • Comprehend the electronic-structure properties responsible for an efficient chemical excitation
  • Characterize the distinct mechanisms (uncatalyzed, intra- and intermolecularly catalyzed)

Computational and Theoretical Bio- and Chemiluminescence

Highlighted publications

Mechanism of DNA damage and repair
  • Determine the photo-induced processes giving rise to DNA damage
  • Determine the photo-stability properties of DNA components
  • Molecular basis of photo-repair mechanisms
  • Role of reactive oxygen/nitrogen species and low-energy electrons in DNA damage
  • DNA damage by photo-sensitization (photodynamic therapy in cancer treatment)

Mechanism of DNA damage and repair

Highlighted publications

Molecular basis of the photo-chemistry in the dark
  • Comprehend how excited-state chemistry can be induced by chemical reactivity rather than light
  • Applications in biology, nanotechnology and medicine

Highlighted publications

Theoretical Study of the emissive, non-emissive and photo-reactive properties in luminescent materials, optoelectronics and photovoltaics
  • Decipher the reasons for the emissive/non-emissive behaviour of organic molecules of interest in optoelectronics and photovoltaics
  • Improve efficiency by eliminating non-desired photochemical processes
  • Photochemistry of boranes
  • Photochemistry of organic pi-conjugated systems

Theoretical Study of the emissive, non-emissive and photo-reactive properties in luminescent materials, optoelectronics and photovoltaics

Highlighted publications

Computational chemistry and photochemistry of biological and nanotechnological systems
  • Determine the photo-response of biomolecules and nanomolecules
  • Explicit effect of water
  • Molecular modeling of chemical phenomena

Computational chemistry and photochemistry of biological and nanotechnological systems

Highlighted publications

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