Dissociative recombination of N2H+: a revisited study

Dissociative recombination of N2H+ is explored in a two-step theoretical study. In a first step, a diatomic (1D) rough model with a frozen NN bond and frozen angles is adopted, in the framework of the multichannel quantum defect theory (MQDT). The importance of the indirect mechanism and of the bending mode is revealed, in spite of the disagreement between our cross section and the experimental one. In the second step, we use our recently elaborated 3D approach based on the normal mode approximation combined with R-matrix theory and MQDT. This approach results in satisfactory agreement with storage-ring measurements, significantly better at very low energy than the former calculations.
Biochemistry, Biophysics, Structural Biology
Mezei, J.Z., Ayouz, M.A., Orbán, A. et al. Dissociative recombination of N2 H+ : a revisited study. Eur. Phys. J. Spec. Top. (2023). https://doi.org/10.1140/epjs/s11734-023-00922-5