Research paperConformational analysis of 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid

Add time:08/18/2019    Source:sciencedirect.com

Partially fluorinated carboxylic acids exhibit rich conformational landscapes. We report the first high-resolution spectroscopic study of 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid. Its rotational spectrum was measured using both broadband chirped-pulse and narrow-band cavity-based Fourier transform microwave spectrometers. Two dominant conformers were observed, and their structures confirmed with the aid of quantum chemical calculations. Both conformers take on the Z form of the carboxylic acid group. Similarities and differences between this and other fluorinated carboxylic acids are discussed.

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