Conformational analysis of 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid
Lin, Wei
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https://hdl.handle.net/2142/97147
Description
Title
Conformational analysis of 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid
Author(s)
Lin, Wei
Contributor(s)
Xu, Yunjie
Jäger, Wolfgang
Schnitzler, Elijah G.
Serrato, Agapito, III
Carrillo, Michael J.
Thomas, Javix
Issue Date
2017-06-20
Keyword(s)
Small molecules
Abstract
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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