Electronic Structure and Electronic Spectrum of Nitrogen Dioxide. III Spectral Interpretation

Abstract

The excitation energies, potential‐energy surfaces, and oscillator strengths computed in the previous paper are discussed in light of experimentally reported spectroscopic data, namely absorption, fluorescence, chemiluminescence, predissociation, photolysis, and the absence of phosphorescence. It is found that the main components of the visible spectrum are due to the transitions ${}^2{B}_1{\mathrm{\hspace{0.17em}\leftarrow \hspace{0.17em}}}^2{A}_1$ , and ${}^2{B}_2{\mathrm{\hspace{0.17em}\leftarrow \hspace{0.17em}}}^2{A}_1$ , with the ${}^2{B}_2$ state being responsible for the observed fluorescence emission. The anomalous fluorescence lifetime is also discussed.