Abstract
The 14A″(4Π) state of N2O+ is found to be the most stable at bent conformations of the nuclei. Ab initio SCF, MC SCF, and MC SCF CI calculations with a double-zeta basis and typical bond-length values for RNN and RNO all yield minimum energy angles near 126°. The energy lowering is such that the total energy of N2O+ (14A″, 126°) is very near that of the lowest O, N2 asymptote, 4S, X 1Σg+. These results are shown to imply that the ionospheric reaction O+ + N2 → NO+ + N, the rate-determining step in the electron removal reaction network, is adiabatic on the potential surface of the 14A″ state.
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