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High Resolution FTIR Spectrum of Chlorofluoroethyne, FCCCl, below 1000 cm–1. Analysis of the ʋ3, ʋ4, ʋ5, 2ʋ4, ʋ4 + ʋ5 and 2ʋ5 Bands, and ab initio Calculations

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Breidung, J., Bürger, H., Senzlober, M., & Thiel, W. (1999). High Resolution FTIR Spectrum of Chlorofluoroethyne, FCCCl, below 1000 cm–1. Analysis of the ʋ3, ʋ4, ʋ5, 2ʋ4, ʋ4 + ʋ5 and 2ʋ5 Bands, and ab initio Calculations. Zeitschrift fuer Naturforschung, A: Physical Sciences, 54(3/4), 236-244.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0024-39AF-7
Abstract
High resolution infrared spectra of FCCCl have been measured and analyzed by polynomial methods. In the region below 350 cm–1, the analysis is straightforward and yields parameters for the ʋ4 = 1 and ʋ5 = 1 states. Between 350 and 800 cm–1 there are strong anharmonic interactions in the 2ʋ54 + ʋ53/2ʋ4 tetrad which have been unravelled with the use of a model that employs ab initio interaction constants. Observed and theoretically predicted wavenumbers are in excellent agreement for all bands studied.