The MPI-Mainz UV/VIS Spectral Atlas

of Gaseous Molecules of Atmospheric Interest

www.uv-vis-spectral-atlas-mainz.org

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) / Nitrates / i-C3H7ONO2,(CH3)2CHONO2 / IUPAC(2006)_298K_185-360nm(rec)

DATAFILE: i-C3H7ONO2,(CH3)2CHONO2_IUPAC(2006)_298K_185-360nm(rec).txt
NAME: 2-propyl nitrate, isopropyl nitrate
FORMULA: i-C3H7ONO2,(CH3)2CHONO2
AUTHOR(YEAR): IUPAC(2006)
T: 298K
λ: 185-360nm(rec)
BIBLIOGRAPHY: R. Atkinson, D.L. Baulch, R.A. Cox, J.N. Crowley, R.F. Hampson, R.G. G. Hynes, M.E. Jenkin, M.J. Rossi, and J. Troe, "Evaluated kinetic and photochemical data for atmospheric chemistry: Volume II - gas phase reactions of organic species", Atmos. Chem. Phys. 6, 3625-4055 (2006); DOI: 10.5194/acp-6-3625-2006
COMMENTS: IUPAC(2006) recommendation:

The preferred values of the absorption cross-section for the range 185 nm to 220 nm are those of

M.P. Turberg, D.M. Giolando, C. Tilt, T. Soper, S. Mason, M. Davies, P. Klingensmith, and G.A. Takacs, "Atmospheric chemistry of alkyl nitrates," J. Photochem. Photobiol. A. Chem. 51, 281-292 (1990); DOI: 10.1016/1010-6030(90)87063-H.

Over the range 220 nm to 305 nm averages are taken of the results of

J.M. Roberts and R.W. Fajer, "UV absorption cross sections of organic nitrates of potential atmospheric importance and estimation of atmospheric lifetimes," Environ. Sci. Technol. 23, 945-951 (1989); DOI: 10.1021/es00066a003,

M.P. Turberg, D.M. Giolando, C. Tilt, T. Soper, S. Mason, M. Davies, P. Klingensmith, and G.A. Takacs, "Atmospheric chemistry of alkyl nitrates," J. Photochem. Photobiol. A. Chem. 51, 281-292 (1990); DOI: /10.1016/1010-6030(90)87063-H,

K.C. Clemitshaw, J. Williams, O.V. Rattigan, D.E. Shallcross, K.S. Law, and R.A. Cox, "Gas-phase ultraviolet absorption cross-sections and atmospheric lifetimes of several C2-C5 alkyl nitrates," J. Photochem. Photobiol. A: Chem. 102, 117-126 (1996); DOI: 10.1016/S1010-6030(96)04458-9, and

R.K. Talukdar, J.B. Burkholder, M. Hunter, M.K. Gilles, J.M. Roberts, and A.R. Ravishankara, "Atmospheric fate of several alkyl nitrates. Part 2. UV absorption cross-sections and photodissociation quantum yields," J. Chem. Soc. Faraday Trans. 93, 2797-2805 (1997); DOI: 10.1039/A701781B,

where their studies overlap,

and over the range 310 nm to 360 nm the preferred values are based on the results of Roberts and Fajer (1989), Clemitshaw et al. (1996), and Talukdar et al. (1997)

Temperature coefficients B for the parameterization

ln σ(T) = ln σ(298 K) + B × (T - 298) at T = 233-360 K are those of Talukdar et al. (1997):

--------------------
λ   103 B
(nm) (K-1)
--------------------
240  2.8
245  2.7
250  2.5
255  2.5
260  2.6
265  2.8
270  3.1
275  3.3
280  3.6
285  4.0
290  4.4
295  4.8
300  5.4
305  6.1
310  6.9
315  8.1
320  9.4
325 11.1
330 11.9
335 14.0
340 13.9

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