Abstract
The infrared spectrum of diacetylene has been recorded at high resolution between 500 and 1000 cm−1 by Fourier transform spectroscopy. More than 1200 transitions were assigned to five bands: the ν8 fundamental, the ν7 + ν9 combination, and the ν3 − ν9 difference bands as well as the most intense ν8 + ν9 − ν9 and ν7 + 2ν9 − ν9 hot bands. The data were analysed together with the previously recorded millimetre-wave lines for the ν8 − ν6 and ν8 + ν9 − (ν6 + ν9) difference bands. Rotational and vibrational l-type resonances, together with the cubic anharmonic interactions which couple the v 3 = 1 stretching state with the v 8 = v 9 = 1 combination and v 7 = 2 overtone states, have been considered in the least-squares fits to the observed wavenumbers in order to derive reliable spectroscopic parameters. The spectral analyses deliver very precise B 0 and D 0 parameters and experimental values of the anharmonicity constants for the bending–bending combination states of diacetylene below 1000 cm−1.
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