화학공학소재연구정보센터
Chemical Physics Letters, Vol.657, 131-134, 2016
Matrix-isolated infrared absorption spectrum of CH2BrOO radical
The bromomethylperoxy radical, CH2BrOO, has been generated in cryogenic matrices. Six fundamental bands for CH2BrOO have been observed in an argon matrix at 5 K. The experimental frequencies (cm (1)) are: v(4) = 1274.3, v(5) = 1229.4, v(6) = 1086.7, v(7) = 961.8, v(8) = 879.9, and v(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 (v(4), v(6), v(7) and v(8)) observed by Huang and Lee in the gas phase. (C) 2016 Elsevier B. V. All rights reserved.