Infrared spectral identification of the Criegee intermediate (CH3)2COO

Yi Ying Wang, Chao Yu Chung, Yuan-Pern Lee*

*此作品的通信作者

研究成果: Article同行評審

26 引文 斯高帕斯(Scopus)

摘要

Criegee intermediates are carbonyl oxides that play critical roles in the ozonolysis of alkenes in the atmosphere. So far, the infrared spectra of only the simplest Criegee intermediates CH2OO and CH3CHOO are reported. We report the transient infrared spectrum of the next member (CH3)2COO, produced from ultraviolet irradiation of a mixture of (CH3)2CI2 + O2 in a flow reactor and detected with a step-scan Fourier-transform spectrometer. The four observed bands near 1424, 1368, 1040, and 887.4 cm-1 provide definitive identification of (CH3)2COO. The observed vibrational wavenumbers and rotational contours agree with those predicted with quantum-chemical calculations; contributions of the hot bands from excited states of the low-lying torsional modes are significant. The rapid decay yields an estimate of the rate coefficient ∼1.6 × 10-10 cm3 molecule-1 s-1 for the self-reaction of (CH3)2COO. The direct IR detection of (CH3)2COO should prove useful for field measurements and laboratory investigations of related Criegee mechanism.

原文English
文章編號154303
頁數6
期刊Journal of Chemical Physics
145
發行號15
DOIs
出版狀態Published - 21 10月 2016

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