The infrared spectrum of NO2+: theory

Abstract Although attempts to measure spectra of NO 2+ 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 NO 2+ between levels of the A  2 Π electronic state. The accuracy of our potential energy function is established by using it to synthesize a previously recorded TPEsCO spectrum of NO 2+ .