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

✍ Scribed by T.L. Tan; K.L. Goh; P.P. Ong; H.H. Teo

• Publisher: Elsevier Science
• Year: 1999
• Tongue: English
• Weight: 152 KB
• Volume: 198
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1999.7960

✦ Synopsis

The infrared absorption spectrum of the nu(2) 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 nu(2) band is coupled to 2nu(5) by a c-type Coriolis interaction. Both perturbed and unperturbed transitions were assigned and fitted to give seven rovibrational constants for the nu(2) = 1 state with a standard deviation of 0.00094 cm(-1) using Watson's A-reduced Hamiltonian in the I(r) representation. A c-type Coriolis interaction term between nu(2) and 2nu(5) was derived from the rovibrational analysis. The ratio of the transition moments, ||µ(b)/µ(a) ||, was found to be 1.42 +/- 0.10 for the hybrid band. Copyright 1999 Academic Press.