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C---H local modes in cyclobutene, part I: FTIR studies, 600 to 10000 cm–1

Baggott, J. E., Clase, H. J. and Mills, I. (1986) C---H local modes in cyclobutene, part I: FTIR studies, 600 to 10000 cm–1. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 42 (2-3). pp. 319-334. ISSN 1386-1425

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To link to this item DOI: 10.1016/0584-8539(86)80195-7


The vibrational structure of C---H 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 C---H 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 C---H stretching overtones in the visible region.

Item Type:Article
Divisions:Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
ID Code:7441

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