The systematic study of quenching rate coefficients of NO(X2?) colliding by NO(A2S+) and N2(A3Su+, B3?g)

MRCI approach was used to investigate the PECs for NO and N-2. These PECs are in good agreement with the RKR potential, and by using RKR potential we obtain accurate Frank-Condon factors. Based on Rosen-Zener approximation and Frank-Condon factors, we calculate the quenching rate coefficients of NO(X-2 Pi,v*=0-3) colliding by NO(A(2)sigma(+),v = 0-20), N2(A(3)sigma(+)(u),v = 0-23) and N-2(B-3 Pi(g),v = 0-28). The higher vibrational excitation v* is more conducive to the occurrence of quenching. Moreover, rate coefficients of NO(X-2 Pi,v*) and N-2(X-1 sigma(+)(g),v*) colliding by NO(A(2)sigma(+),v = 0-20) are calculated at high temperature. Our results provide more accurate numerical basis for the entry of aircraft into the atmosphere at high temperature.

Automated summary

In this study, the MRCI approach was used to investigate the potential energy curves (PECs) of NO and N-2. The PECs obtained were in good agreement with the RKR potential, which allowed for the accurate calculation of Frank-Condon factors. Using the Rosen-Zener approximation and Frank-Condon factors, the quenching rate coefficients of various collision reactions involving NO(X-2 Pi,v*=0-3) and NO(A(2)sigma(+),v = 0-20), N2(A(3)sigma(+)(u),v = 0-23), and N-2(B-3 Pi(g),v = 0-28) were calculated. The results showed that higher vibrational excitation (v*) promotes the occurrence of quenching. Additionally, the rate coefficients of NO(X-2 Pi,v*) and N-2(X-1 sigma(+)(g),v*) colliding with NO(A(2)sigma(+),v = 0-20) at high temperature were also calculated, providing more accurate numerical basis for aircraft entering the atmosphere at high temperatures.