Theoretical study of vibrational excitation and dissociative electron attachment of NO2 by an electron impact
ORAL
Abstract
The NO2 molecule plays a critical role in modeling atmospheric processes. However, the theoretical description of the vibrational excitation and dissociative electron attachment (DEA) for this open-shell molecule is still an extremely challenging task to date. In this study, we use a theoretical approach that combines the normal modes approximation, the R-matrix formalism, and the vibrational frame transformation to compute the cross sections for electron-impact vibrational excitation of NO2. The cross sections for DEA to NO2 are estimated through a simplified approach which is based on the fact that the resonance energy only varies substantially over a subset of normal coordinates, and compared to available experimental data. Thermally-averaged rate coefficients are obtained from the cross sections for the temperatures 10 K-10000 K.
–
Authors
-
Hainan LIU
SPMS, CentraleSupélec, Université Paris-Saclay, 8-10 rue Joliot-Crurie, 91190 Gif-sur-Yvette, France
-
Samantha Fonseca dos Santos
Rollins College, Winter Park, FL, USA, Rollins College
-
Chi Hong Yuen
Department of Physics, University of Central Florida, Orlando, FL 32816, USA, University of Central Florida
-
Pietro CORTONA
SPMS, CentraleSupélec, Université Paris-Saclay, 8-10 rue Joliot-Crurie, 91190 Gif-sur-Yvette, France
-
Viatcheslav Kokoouline
Department of Physics, University of Central Florida, Orlando, FL 32816, USA, University of Central Florida
-
Mehdi AYOUZ
LGPM, CentraleSupélec, Université Paris-Saclay, 8-10 rue Joliot-Crurie, 91190 Gif-sur-Yvette, France