標題: | Infrared absorption spectrum of the simplest deuterated Criegee intermediate CD2OO |
作者: | Huang, Yu-Hsuan Nishimura, Yoshifumi Witek, Henryk A. Lee, Yuan-Pern 應用化學系 Department of Applied Chemistry |
公開日期: | 28-七月-2016 |
摘要: | 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, N-2, and O-2 (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. Published by AIP Publishing. |
URI: | http://dx.doi.org/10.1063/1.4958932 http://hdl.handle.net/11536/134129 |
ISSN: | 0021-9606 |
DOI: | 10.1063/1.4958932 |
期刊: | JOURNAL OF CHEMICAL PHYSICS |
Volume: | 145 |
Issue: | 4 |
顯示於類別: | 期刊論文 |