The quantitative infrared and NIR spectrum of CH 2 I 2 vapor: vibrational assignments and potential for atmospheric monitoring

Diiodomethane (CH 2 I 2 ) has recently become a molecule of significant atmospheric interest as it can contribute to coastal IO formation. As part of the PNNL database of gas-phase infrared spectra, the quantitative absorption spectrum of CH 2 I 2 has been acquired at 0.1 cm -1 resolution. Two strong b 2 symmetry A-type bands at 584 and 1114 cm -1 are observed, but are not resolved when broadened to 760 Torr with nitrogen and appear as B-type. In contrast, the b 1 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. Some bands are discussed in terms of their potential for atmospheric monitoring and theoretical detection limits on a selected basis. FT-Raman spectra and ab initio calculations are used to complete vibrational assignments in the C 2 v point group.

• Publication year

  2006

• Venue

  Atmospheric Chemistry and Physics

• Publication date

  2006-07-04

• Fields of study

  Chemistry, Environmental Science

• Identifiers
  DOI 10.5194/ACP-6-2581-2006
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

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