The pure rotational spectrum of perfluorobutyric acid, CF3CF2 CF2COOH, has been studied by a pulsed nozzle, chirped-pulse Fourier transform microwave spectrometer in the frequency range of 8-14 GHz. A total of 103 transitions, including a-type, b-type, and c-type transitions have been observed and analyzed. The rotational constants and the five quartic centrifugal distortion constants were determined for the first time. The rotational constants are A = 1398.6731(6) MHz, B = 624.6361(5) MHz, and C = 598.4248(5) MHz. The rotational spectrum of the perfluorobutyric acid monohydrate has also been measured. The structure of the hydrate has been calculated from ab initio calculations. The comparison of this project and the previously studied perfluoropropionic acid and its monohydrate will be presented. The effect of hydrogen bonding on the structure of the monohydrates will be discussed.

Rotational spectra of perfluorobutyric acid and its monohydrate

245th National Meeting (2013)

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