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My current research interest stem from the desire to understand fundamental aspects of the dynamics and photodynamics of molecular and atomic systems. These fundamental aspects have included radical chemistry in interstellar ice analogs, the relationship of conformational structure and electronic states with processes such as hydrogen transfer, tunneling, nuclear spin conversion, photoisomerization, intermolecular complex stability and solid lattice rearrangements. I also explore other areas related to the photophysics and reactivity of molecule of atmospheric interest. As a physical-chemist I use a broad toolbox of experimental spectroscopic techniques (laser, mass, electronic and vibrational) mainly at low temperatures and theoretical methods to address these questions.
Vibrational and electronic spectroscopy of organic molecules in molecular jets and cryogenic ion traps
Vibrational and electronic spectroscopy of organic molecules in molecular jets and cryogenic ion traps
The vibrational and electronic signatures of molecular systems in the gas phase gives access to structural and electronic properties, as well asto different dynamic processes in some cases. The possibility to study these systems at cold temperatures (< 70 K) not only facilitates the analysis by reducing several effects (e.g. hot bands) but also allows the study of homo- and hetero-complexes. We have focused our attention in the study of neutral (supersonic jets + REMPI), protonated and deprotonated (ESI + cold ion trap + UVPD, IRMPD) aromatic derivatives of interest in astrochemistry and atmospheric chemistry. This collaboration started in September 2021 and currently maintained by common projects with J. Noble.
(Collaboration with Jennifer Noble at Aix-Marseille University, and Isabel Compagnon ILM, Lyon).
Formation of interstellar complex organic molecules (iCOMs) in astrochemical relevant ices
Formation of interstellar complex organic molecules (iCOMs) in astrochemical relevant ices
We develop the study of radical reactivity (intermediary species) under conditions simulating those of interstellar ices, i.e. low temperature and low pressure. We try to reveal the possible radical mediated routes behind the formation of iCOMs in solid phase. The unique combination of FT-IR, TPD-MS, GC-MS and EPR techniques allow us to connect intermediary species with final stable products. This collaboration started in June 2019.
(Collaboration with Fabrice Duvernay at Aix-Marseille University)
Photodynamics of molecular and atomic systems in cryogenic matrices
Photodynamics of molecular and atomic systems in cryogenic matrices
We study the relationship between conformational structure and electronic states with processes such as tautomerization, photoisomerization, intermolecular complex stability and solid lattice rearrangements from both experimental and theoretical approaches. We use matrix isolation technique to isolate and probe molecular species that would otherwise disappear rapidly when produced in other media.
(Collaboration with Claudine Crépin at Paris-Saclay and Justinas Ceponkus from Vilnius University)
Hydrogen transfer and Nuclear Spin Conversion
Hydrogen transfer and Nuclear Spin Conversion
Vibrational spectroscopy provides accurate information about intrinsic properties and dynamics of molecular systems in the ground electronic state. This specially the case of hydrogen transfer and spin conversion. These two processes are important in different fields, including biology, astrochemistry and fundamental science. For instance, in the case of hydrogen transfer, the presence of multiple equivalent minima with low potential wells can induce the splitting of vibrational levels, conducing to multiple allowed transitions for one mode. The soft para-hydrogen matrix is specially suited for the study of these two processes.
(Collaboration with Claudine Crépin at Paris-Saclay and Justinas Ceponkus from Vilnius University)
Helium droplets spectroscopy (not continued)
Helium droplets spectroscopy (not continued)
Helium droplets is a mixture between an ultimate version of matrix isolation and the cold jet techniques. The helium nanodroplets offer a unique and very weak interacting environment to study different kind of complexes through their ro-vibrational spectra. We have focus our attention in propyne dimers and its complexes with water.
(Collaboration with Marc Briant and J.-M. Mestdagh at CEA-Saclay)
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