Rovibrational Analysis of ν2 and 2ν5 Bands of DCOOH by High Resolution FTIR Spectroscopy

Abstract

The infrared absorption spectrum of the ν2 band of deuterated formic acid (DCOOH) was recorded using a Bomem DA3.002 Fourier transform spectrometer in the wavenumber region 2130-2300 cm-1 with an apodized resolution of 0.004 cm-1. A total of 1024 transitions were assigned to this band which is hybrid type A and B, centered at 2219.6896 ± 0.0002 cm-1. As expected, the ν2 band is coupled to 2ν5 by a c-type Coriolis interaction. Both perturbed and unperturbed transitions were assigned and fitted to give seven rovibrational constants for the ν2 = 1 state with a standard deviation of 0.00094 cm-1 using Watson's A-reduced Hamiltonian in the Ir representation. A c-type Coriolis interaction term between ν2 and 2ν5 was derived from the rovibrational analysis. The ratio of the transition moments, |μb/μa|, was found to be 1.42 ± 0.10 for the hybrid band. © 1999 Academic Press.