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
Bolognesi Paola;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.File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
