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. 2018 Jan 18;122(2):646-651.
doi: 10.1021/acs.jpca.7b08882. Epub 2018 Jan 5.

Conformational Map of Phenolic Acids

Vanessa Cortijo  1 , Elena R Alonso  1 , Santiago Mata  1 , José L Alonso  1
Affiliations

Conformational Map of Phenolic Acids

Vanessa Cortijo et al. J Phys Chem A. .

Abstract

The benefits of vaporization by laser ablation and the high resolution and sensitivity attained by the chirped pulse Fourier transform microwave spectroscopy CP-FTMW have provided the first conformational map of the simplest phenolic acids of trans-cinnamic and p-coumaric. Two conformers of trans-cinnamic acid and four conformers of trans-p-coumaric acid have been characterized under the isolation conditions of a supersonic expansion. The spectroscopic constants derived from the analysis of the rotational spectra compared with those predicted theoretically provide an unmatched means to achieve an unambiguous identification of the observed species.

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