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