Vibrational deactivation in O(3P) + N2 collisions: from an old problem towards its solution

Abstract

Abstract In a recent communication [2021 Phys. Chem. Chem. Phys. 23 15475–79] we showed that the correct modelling of vibrational quenching events in O + N2(v) collisions, a fundamental process in air plasmas, requires the detailed representation of intermediate and asymptotic regions of the interaction and the inclusion of several types of processes as vibration to translation (V–T) and vibro-electronic (V–E) energy transfer. For the first time from the publication of experimental results in the 70’s, we obtained theoretical results in agreement with experiments, even at room temperature. In the present work we extend the approach to better describe non-adiabatic V–E deactivation and include the evaluation of the role of the higher excited singlet N2O surface, characterized by new high quality ab initio calculations, to that of the triplet Π and Σ ones. Within this framework, we calculate V–T, V–E and the corresponding total vibrational relaxation rate coefficients for initial vibrational N2(v) quantum numbers up to v = 10 in a wide temperature range (200–10 000 K). These data are of uttermost importance for the modelling of air plasmas, of earth’s and planetary atmospheres and for the design and construction of aircrafts and air-breathing propulsion systems for very low earth orbit (VLEO) satellites.