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The infrared spectrum of NO²⁺: theory

Lookup NU author(s): Andrew Critchley, Dr Iain McNab

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Abstract

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+. © 2003 Elsevier Science B.V. All rights reserved.

Publication metadata

Author(s): Bennett FR, Critchley ADJ, King GC, McNab IR, Shiell RC

Publication type: Article

Publication status: Published

Journal: Chemical Physics Letters

Year: 2003

Volume: 372

Issue: 3-4

Pages: 557-562

ISSN (print): 0009-2614

ISSN (electronic): 1873-4448

Publisher: Elsevier BV

URL: http://dx.doi.org/10.1016/S0009-2614(03)00444-5

DOI: 10.1016/S0009-2614(03)00444-5

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