Rotational analysis of the ²ν₅ Band of Formaldehyde

Sudarshana Saha (1) , Hugh Barry (2) , Gus Hancock (2) , Grant Ad Ritchie (2) , Colin Mark Western (1)

1 School of Chemistry
2 Physical and Theoretical Chemistry Laboratory

The spectrum of the ²ν₅ C-H stretching band of formaldehyde has been measured by Barry et al [Phys. Chem. Chem. Phys., 4, 445 (2002).] with FTIR spectroscopy. We have rotationally analysed this spectrum with the help of PGOPHER, a general purpose program for simulating and fitting rotational spectra. The spectrum shows several perturbations and there is sufficient information available on the vibrational structure from a dispersed fluorescence spectra study by Bowens et al [J. Chem. Phys. 104, 460 (1996)] and theoretical calculations by Burleigh et al [J. Chem. Phys. 104, 480 (1996)] to allow us to identify the perturbing states and deperturb the energy levels. The resulting perturbation parameters and rotational constants enabled us to reproduce the experimental line positions with an average error of 0.013 cm^-1. We also present a list of line positions and relative intensities in the region around 1.76 μm.

Mots clés: Physical Sciences

Sudarshana Saha, Hugh Barry, Gus Hancock, Grant Ad Ritchie, Colin Mark Western. Rotational analysis of the ²ν₅ Band of Formaldehyde. Molecular Physics, 2007, 105 (05-07), pp.797-805. ⟨10.1080/00268970601126767⟩. ⟨hal-00513067⟩