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