Matrix-isolated infrared absorption spectrum of CH_2BrOO radical

Creators: Zhang, Xu; Sander, Stanley P.; Cheng, Lan; Thimmakondu, Venkatesan S.; Stanton, John F.

Abstract

The bromomethylperoxy radical, CH_2BrOO, has been generated in cryogenic matrices. Six fundamental bands for CH_2BrOO have been observed in an argon matrix at 5 K. The experimental frequencies (cm^(−1)) are: ν_4 = 1274.3, ν_5 = 1229.4, ν_6 = 1086.7, ν_7 = 961.8, ν_8 = 879.9, and ν_(10) = 515.4, two of which are detected for the first time. Ab initio calculations have been performed employing coupled-cluster methods. The experimental frequencies are shown to be in good agreement with the computation as well as the four bands (ν_4, ν_6, ν_7 and ν_8) observed by Huang and Lee in the gas phase.

Additional Information

© 2016 Elsevier B.V. Copyright 2016 California Institute of Technology. Government sponsorship is acknowledged. Received 22 March 2016; In final form 26 May 2016; Available online 27 May 2016. This work was supported by the NASA Tropospheric Chemistry and Upper Atmosphere Research Programs. Additional support for this work to J.F.S. comes from the U.S. Department of Energy (Contract Number DE-FG02-07ER15884) and the Robert A. Welch Foundation of Houston, TX (Grant F-1284). The authors would also like to thank Dr. Kyle Bayes and Prof. Barney Ellison for their helpful discussions. The research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration.

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