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

30th International Conference on Photonic, Electronic, and Atomic Collisions

Cartoni, Antonella^1,2 ; Catone, Daniele^3 ; Bolognesi, Paola^2 ; Satta, Mauro^4 ; Markus, Pal^2 ; Avaldi, Lorenzo^2

Dipartimento di Chimica, Sapienza Università di Roma, Pl.e Aldo Moro 5, Roma

00185, Italy^1

CNR-Istituto di Struttura della Materia, Area della Ricerca di Roma 1, Monterotondo Scalo (RM)

00016, Italy^2

CNR-Istituto di Struttura della Materia (ISM), Area della Ricerca di Roma 2, Roma

00133, Italy^3

CNR-Istituto per Lo Studio Dei Materiali Nanostrutturati (ISMN), Dipartimento di Chimica, Sapienza Università di Roma, P.le Aldo Moro 5, Roma

00185, Italy^4

关键词: Ab initio method;    Ion-molecule reaction;    Photon energy;    Reaction dynamics;    Temperature dependent;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/875/4/032003/pdf
DOI  :  10.1088/1742-6596/875/4/032003

来源: IOP

【 摘 要 】

The reaction dynamics and the temperature-dependent kinetic trend of the SO2.+ion-molecule reactions with water and methane have been studied using the tunable synchrotron radiation to produce excited SO2.+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.