The reaction dynamics and the temperature-dependent kinetic trend of the SO2 center dot+ ion-molecule reactions with water and methane have been studied using the tunable synchrotron radiation to produce excited SO2 center dot+ ions and ab-initio methods. The experimental results show that only one product, HSO2+, is formed in both reactions and its yield displays different trends with the photon energy. DFT and VTST calculations have been used to explore the dynamics of the reactions and to calculate the rate constants at different temperatures.

Dynamics of ion-molecule reactions of SO2 center dot+ with H2O and CH4

Satta Mauro;
2017

Abstract

The reaction dynamics and the temperature-dependent kinetic trend of the SO2 center dot+ ion-molecule reactions with water and methane have been studied using the tunable synchrotron radiation to produce excited SO2 center dot+ ions and ab-initio methods. The experimental results show that only one product, HSO2+, is formed in both reactions and its yield displays different trends with the photon energy. DFT and VTST calculations have been used to explore the dynamics of the reactions and to calculate the rate constants at different temperatures.
2017
Istituto per lo Studio dei Materiali Nanostrutturati - ISMN
CalculationsChemical reactionsDynamicsMoleculesPhotonsRate constantsSynchrotron radiation
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/372334
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