The vibrational spectrum of FBrCO

Abstract

The FT-IR spectrum of the FBrCO molecule has been recorded and assigned. Ab initio calculations at the second order Møller-Plesset (MP2) level of theory have been performed to calculate the harmonic frequencies of the fundamentals as well as the molecular parameters of this molecule. The theoretical calculations have not only reproduced the measured fundamental frequencies very well but also provided detailed descriptions of the vibrational modes. The absorption cross-sections for the three strong fundamentals have also been measured.