The MPI-Mainz UV/VIS Spectral Atlas

of Gaseous Molecules of Atmospheric Interest

https://www.uv-vis-spectral-atlas-mainz.org, https://uvvis.mpch-mainz.gwdg.de

Hannelore Keller-Rudek1, Geert K. Moortgat2, Rolf Sander2, Rüdiger Sörensen1

1Satellite Group

2Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany


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When referring to the Spectral Atlas, please cite our publication:

Keller-Rudek, H., Moortgat, G. K., Sander, R., and Sörensen, R.: The MPI-Mainz UV/VIS spectral atlas of gaseous molecules of atmospheric interest, Earth Syst. Sci. Data, 5, 365–373, (2013), DOI: 10.5194/essd-5-365-2013


Cross Sections / Organics (N-compounds) / Peroxynitrates / CF3O2NO2 / JPL-2015(2015)_301K_185-340nm(rec)

DATAFILE: CF3O2NO2_JPL-2015(2015)_301K_185-340nm(rec).txt
NAME: trifluoromethyl peroxynitrate
FORMULA: CF3O2NO2
AUTHOR(YEAR): JPL-2015(2015)
T: 301K
λ: 185-340nm(rec)
BIBLIOGRAPHY: J. B. Burkholder, S. P. Sander, J. Abbatt, J. R. Barker, R. E. Huie, C. E. Kolb, M. J. Kurylo, V. L. Orkin, D. M. Wilmouth, and P. H. Wine, "Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 18", JPL Publication 15-10, Jet Propulsion Laboratory, Pasadena, 2015 http://jpldataeval.jpl.nasa.gov
COMMENTS: JPL-2015 recommendation:

185-340 nm, data of

R. Kopitzky, H. Willner, H.-G. Mack, A. Pfeiffer, and H. Oberhammer, "IR and UV absorption cross sections, vibrational analysis, and the molecular structure of trifluoromethyl peroxynitrate, CF3OONO2", Inorg. Chem. 37, 6208-6213 (1998); DOI: 10.1021/ic980776p

The parameterization of the cross section temperature dependence of

F.E. Malanca, M.S. Chiappero, G.A. Argüello, and T.J. Wallington, "Trifluoro methyl peroxynitrate (CF3OONO2): Temperature dependence of the UV absorption spectrum and atmospheric implications", Atmos. Environ. 39, 5051-5057 (2005); DOI: 10.1016/j.atmosenv.2005.05.026,

using the empirical expression

log10 σ = B × T + log10 σ0,

where σ and σ0 are the cross sections in cm2 molecule–1 at temperatures T and 0 K,

has been adopted

The recommended parameters B and σ0 are:

---------------------------------------------------
λ  103 B   1020 σ(0 K)
(nm) (K-1)   (cm2 molecule-1)
---------------------------------------------------
290 6.8    1.2×10-2
295 8.3    2.9×10-3
300 10.5    4.4×10-4
305 12     8.4×10-5
310 14     1.9×10-6
315 16.4     2.9×10-6
320 18     6.0×10-7
325 22     3.7×10-8
330 26     1.3×10-9

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