High resolution analysis of the FTIR spectra of trifluoroamine NF3

• Published in: Journal of molecular spectroscopy 2018-06, Vol.348, p.87-102
• Main Authors: Bolotova, I.B., Ulenikov, O.N., Bekhtereva, E.S., Albert, S., Bauerecker, S., Hollenstein, H., Lerch, Ph, Quack, M., Peter, T., Seyfang, G., Wokaun, A.
• Format: Article
• Language: English
• Subjects: Atmospheric trace gases; Combination bands rovibrational analysis; Greenhouse effect; High resolution infrared spectroscopy Overtones; Trifluoroamine ([formula omitted])
• ISSN: 0022-2852; 1096-083X
• DOI: 10.1016/j.jms.2018.04.004

Synchrotron based high resolution FTIR spectra with a resolution better than 0.001 cm−1 for 14NF3. [Display omitted] •Synchrotron-based highest resolution FTIR spectra with a resolution of better than 0.001 cm−1 and analyses for the isotopomer 14NF3 of the important atmospheric trace gas trifluoroamine.•Rotationally resolved FTIR spectra of NF3.•Terahertz (far infrared) rotational spectra of NF3.•Rotational analysis of the fundamental ν1 (ν̃0=1032.001cm-1).•Rotational analysis of 12 overtone and combination bands between 900 and 3000 cm−1. We report high resolution Fourier Transform Infrared (FTIR) spectra of nitrogen trifluoride (trifluoroamine, NF3) measured with the Zürich Bruker prototype spectrometer (ZP 2001) and the SLS THz/FTIR setup (2009 prototype) in the range 20–3000 cm-1 at temperatures between 80 and 120 K using a collisional cooling cell designed with White cell multipath reflection optics and at room temperature (296 K). Except in the far-infrared with instrument limited resolution (Δν̃FWHM = 0.0008 cm-1) many of the spectra are nearly Doppler limited. Rovibrational transitions were assigned to 13 different vibrational bands and were used then in the fitting procedure. We re-investigated the bands 2ν4,ν1,ν2+ν4,ν1+ν4, 2ν3 and ν1+ν3, which had been studied before, and we have analyzed the ν2+ν3, 2ν1,ν1+ν2+ν4,ν1+ν2+ν3,ν2+2ν3,3ν3,ν1+2ν3 bands for the first time. All our analyses refer to the isotopomer 14NF3.