RT info:eu-repo/semantics/article
T1 The eight structures of caffeic acid: a jet-cooled laser ablated rotational study
A1 Juárez, Gabriela
A1 Sanz-Novo, Miguel
A1 Aguado, Raúl
A1 Alonso, José L.
A1 León, Iker
A1 Alonso, Elena R.
K1 Biomolecules
K1 Rotational spectroscopy
K1 Molecular Interactions
K1 Sugar
K1 Gas Phase
K1 23 Química
K1 2210 Química Física
K1 2206.07 Espectroscopia Molecular
AB This work reports a complete conformational analysis of caffeic acid, an exceptionally versatile pharmacophore, using laser ablation chirped-pulse Fourier transform microwave spectroscopy. The whole conformational space consisting of eight distinct species has been fully deciphered based on the trend of the rotational constants supported by theoretical computations. We show how rotational spectroscopy can be confidently used to distinguish between conformers even when the structural differences are minimal, such as those involved in the conformational panorama of caffeic acid. Additionally, the structural information here provided, such as the planarity observed in all the conformers, could help to elucidate the mechanisms underlying the biological and pharmacological activity of hydroxycinnamic acids.
PB Royal Society of Chemistry
SN 2046-2069
YR 2023
FD 2023
LK https://uvadoc.uva.es/handle/10324/81564
UL https://uvadoc.uva.es/handle/10324/81564
LA eng
NO RSC Adv., 2023,13, 212-219
NO Producción Científica
DS UVaDOC
RD 05-feb-2026