Combined Experimental and Computational Studies on the Thermal Activation of Small Molecules. Unraveling Mechanistic Aspects in Gas-Phase Chemistry

P. González-Navarrete

Mercredi 19 Avril 2017, 11h00
bibliothèque LCT, tour 12 - 13, 4^ème étage

Gas-phase chemistry has been widely employed for probing experimentally the energetic and kinetics of chemical reactions. It provides an ideal scenario to test the intrinsic reactivity of systems in unperturbed environments at strictly molecular level, dismissing thus, poorly understood solvation, aggregation or other effects. Due to the nature of the experiments, detailed insight in the active site of catalysts can be provided in combination with computational chemistry. Mechanistic aspects of elementary steps involved in the making and breaking of chemical bonds can be unraveled. Some selected examples of gas-phase reactions which are of timely interest for the activation of small molecules are presented and discussed.
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