Highly Vibrationally Excited Non Rigid Molecules: Overtone Spectroscopy and Intramolecular Dynamics of Gaseous Nitromethane

摘要

The CH stretching overtone spectra of gaseous nitromethane NO_2CH_3 (Δv = 4 to 6) and of its monohy-drogenated derivative NO_2CHD_2 (Δv = 2 to 6) have been recorded and analysed with a theoretical treatment which takes into account the coupling of the CH stretch with the low hindered internal rotation of the methyl group and with isoenergetic combination states by Fermi resonance. The calculated spectra reproduce well the experimental ones.