Infrared absorption spectrum of the simplest deuterated Criegee intermediate CD2OO

Yu Hsuan Huang, Yoshifumi Nishimura, Henryk A. Witek, Yuan Pern Lee

研究成果: Article

4 引用 (Scopus)

抜粋

We report a transient infrared (IR) absorption spectrum of the simplest deuterated Criegee intermediate CD2OO recorded using a step-scan Fourier-transform spectrometer coupled with a multipass absorption cell. CD2OO was produced from photolysis of flowing mixtures of CD2I2, N2, and O2 (13 or 87 Torr) with laser light at 308 nm. The recorded spectrum shows close structural similarity with the spectrum of CH2OO reported previously [Y.-T. Su et al., Science 340, 174 (2013)]. The four bands observed at 852, 1017, 1054, and 1318 cm-1 are assigned to the OO stretching mode, two distinct in-plane OCD bending modes, and the CO stretching mode of CD2OO, respectively, according to vibrational wavenumbers, IR intensities, rotational contours, and deuterium-isotopic shifts predicted with extensive quantum-chemical calculations. The CO-stretching mode of CD2OO at 1318 cm-1 is blue shifted from the corresponding band of CH2OO at 1286 cm-1; this can be explained by a mechanism based on mode mixing and isotope substitution. A band near 936 cm-1, observed only at higher pressure (87 Torr), is tentatively assigned to the CD2 wagging mode of CD2IOO.

元の言語English
記事番号044305
ジャーナルJournal of Chemical Physics
145
発行部数4
DOI
出版物ステータスPublished - 2016 7 28
外部発表Yes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

フィンガープリント Infrared absorption spectrum of the simplest deuterated Criegee intermediate CD<sub>2</sub>OO' の研究トピックを掘り下げます。これらはともに一意のフィンガープリントを構成します。

  • これを引用