The infrared spectrum of NO2+: theory

Although attempts to measure spectra of NO2+ using ion beam spectroscopy have been unsuccessful to date we show that the Newcastle ion-beam/infrared laser beam spectrometer should be capable of recording the spectrum calculated here. We report ab initio calculations of infrared spectra of NO2+ between levels of the A 2Π electronic state. The accuracy of our potential energy function is established by using it to synthesize a previously recorded TPEsCO spectrum of NO2+.