Abstract
The vibrational structure of CH stretching states in gas-phase cyclobutene was studied using FTIR spectroscopy in the range 700–9000 cm −1. The structure was modelled using two effective vibrational Hamiltonians, one for each type of CH bond present, consisting of local mode basis functions subject to coupling with symmetrically equivalent bonds and to Fermi resonances with suitable low frequency vibrations. Best-fit model parameters were determined using least-squares routines and the model predictions are compared to the observed band positions and intensities. Some discussion is given of the relevance of the observed couplings to intramolecular vibrational redistribution (IVR) which results in the observation of statistical behaviour in cyclobutene isomerization induced by excitation of CH stretching overtones in the visible region.
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More From: Spectrochimica Acta Part A: Molecular Spectroscopy
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