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The quantitative infrared and NIR spectrum of CH2I2 vapor: vibrational assignments and potential for atmospheric monitoring
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.
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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, 2006. Bibtex EndNote Reference Manager
