Atmos. Chem. Phys. Discuss., 6, 1275-1299, 2006
www.atmos-chem-phys-discuss.net/6/1275/2006/
doi:10.5194/acpd-6-1275-2006
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This discussion paper has been under review for the journal Atmospheric Chemistry and Physics (ACP). Please refer to the corresponding final paper in ACP.
The quantitative infrared and NIR spectrum of CH2I2 vapor: vibrational assignments and potential for atmospheric monitoring
T. J. Johnson, T. Masiello, and S. W. Sharpe
Pacific Northwest National Laboratory, Richland, WA 99354, USA

Abstract. Diiodomethane (CH2I2) photolysis in the presence of ozone is a suggested precursor to new particle aerosol formation, particularly in coastal areas. As part of the PNNL database of gas-phase infrared spectra, the quantitative absorption spectrum of CH2I2 has been acquired at 0.1 cm−1 resolution. Two strong b2 symmetry A-type bands at 584 and 1114 cm−1 are observed, but are not resolved at 760 Torr and appear as B-type. In contrast, the b1 symmetry C-type bands near 5953, 4426 and 3073 cm−1 are resolved with rotational structure, including Q-branches with widths ≤1 cm−1. The quantitative infrared and near-infrared vapor-phase spectra (600–10 000 cm−1) are reported for the first time and discussed in terms of atmospheric monitoring. FT-Raman spectra and ab initio calculations are used to complete vibrational assignments in the C2v point group.

Citation: Johnson, T. J., Masiello, T., and Sharpe, S. W.: The quantitative infrared and NIR spectrum of CH2I2 vapor: vibrational assignments and potential for atmospheric monitoring, Atmos. Chem. Phys. Discuss., 6, 1275-1299, doi:10.5194/acpd-6-1275-2006, 2006.
 
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