Abstract
The infrared spectrum of gaseous methyl bromide (CH3Br) in natural abundance has been analyzed with high resolution, between 1150 and 1700 cm−1. In this spectral region, two fundamental bands, ν2 (A1) and ν5 (E), an overtone 2ν3 (A1) and a combination band ν3 + ν6 (E) occur. The novelty of the present study consists in considering, besides the strong Coriolis and α-interactions coupling the v2 = 1 and v5 = 1 levels, a large variety of anharmonic and rovibrational interactions involving also the v3 = 2 and v3 = v6 = 1 levels. For this latter level, the data set belonging to the ν3 + ν6 combination band has been extended with respect to previous work of Ouahman et al. [Spectrochim. Acta45A (1989) 175–179], to about thousand assigned transitions with -6≤K·ΔK≤+16. Thanks to the completeness of the theoretical model, the global standard deviation of the reproduction of the experimental wavenumbers in the ν2/ν5 system was greatly improved with respect to the previous high-resolution study of Kwabia Tchana et al. [J. Mol. Spectrosc.228 (2004) 441–452]. For this Coriolis-interacting band system, two different reduction schemes, according to the theory of Stříteská et al. [J. Mol. Spectrosc.256 (2009) 135–140], were applied and were proved to be equally successful.
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