High-Resolution Infrared Spectroscopy of the v1 + v4 Band of 14NF3:Reductions of the Rovibrational Hamiltonian

The high-resolution Fourier transform infrared spectrum of nitrogen trifluoride NF3 has been studied in the v1 + v4 perpendicular band region around 1523 cm−1. All experimental data have been refined applying various reduction forms of the effective rovibrational Hamiltonian developed for an isolate...

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Bibliographic Details
Main Authors: Hamid Najib, Siham Hmimou, Hicham Msahal
Format: Article
Language:English
Published: Wiley 2012-01-01
Series:E-Journal of Chemistry
Online Access:http://dx.doi.org/10.1155/2012/218684
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Summary:The high-resolution Fourier transform infrared spectrum of nitrogen trifluoride NF3 has been studied in the v1 + v4 perpendicular band region around 1523 cm−1. All experimental data have been refined applying various reduction forms of the effective rovibrational Hamiltonian developed for an isolated degenerate state of a symmetric top molecule. The v1 = v4 = 1 excited state of the 14NF3 oblate molecule was treated with models taking into account ℓ- and k-type intravibrational resonances. Parameters up to sixth order have been accurately determined and the unitary equivalence of the derived parameter sets in different reductions was demonstrated.
ISSN:0973-4945
2090-9810