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Sujet de stage / Master 2 Internship

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Laser spectroscopy of isolated and microsolvated ion pairs

Contact: GLOAGUEN Eric, , eric.gloaguen@cea.fr, +33 1 69 08 35 82
Summary:
This project aims at studying isolated and microsolvated molecular ion pairs by IR and UV spectroscopy. Several model systems will be investigated to unravel the effect of a counterion on the folding of a molecular ion, and characterize the local organization of the solvent molecules around the paired ions.
Possibility of continuation in PhD: Oui
Deadline for application:30/03/2018

Full description:
Ion pairs are ubiquitous supramolecular objects in Nature, from sea water and aerosols, to living organisms. These paired ions are the very first step of crystallisation of ionic species, they influence the properties of ion-concentrated solutions or ionic liquids, and play a key role in countless applications. Although they are met in many areas of Physics, Chemistry and Biology, their characterisation is complicated by the co-existence of several types of pairs and their elusive nature in solution. Gas phase studies, however, can investigate neutral ion pairs at the atomic scale by IR and UV laser spectroscopy. Combined to quantum chemistry calculations, this approach can characterize the structure of flexible molecular ion pairs, and analyse the main non-covalent interactions that control their shape [1].

This project aims at studying the effect of a counterion on the folding of a molecular ion, and at describing the local organization of the solvent molecules around the paired ions for a few model systems. The main work will be experimental, and will enable the master student to gain experience on a set of various instruments (OPO lasers, dye lasers, mass spectrometer, molecular beam) and techniques (laser desorption, IR/UV double resonance spectroscopy, formation of complex systems in the gas phase). This project will also address theoretical aspects, giving to the student an overview of a scientific project where quantum chemistry calculations and laser spectroscopy complement each.

http://iramis-i.cea.fr/LIDyL/
http://iramis.cea.fr/Pisp/70/eric.gloaguen.html

[1] Habka, S.; Brenner, V.; Mons, M.; Gloaguen, E. Journal of Physical Chemistry Letters 2016, 7, 1192.


Technics/methods used during the internship:
Laser Spectroscopy - Mass spectrometry - Laser Desorption - Molecular Beams - Quantum Chemistry - Polarizable Force Field

Laboratory
Tutor of the internship

 

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