RT info:eu-repo/semantics/article
T1 Conformational Landscape of m-Anisic Acid and Its Complexes with Formic Acid
A1 Macario Farto, Alberto
A1 Blanco Rodríguez, Susana
A1 Thomas, Javix
A1 Xu, Yunjie
A1 López Alonso, Juan Carlos
K1 Espectroscopía de rotación
K1 Quimica Fisica
K1 Quimica
K1 meta-anisic acid - formic acid
K1 rotational spectroscopy
K1 structure
K1 hydrogen bond
K1 conformational equilibria
K1 23 Química
K1 2301.13 Espectroscopia de Microondas
K1 2307 Química Física
AB Four conformers of m-anisic acid were observed in a supersonic expansion using Fourier transform microwave spectroscopy. These conformers correspond to different relative orientations of the acid and the methoxy groups and have their planar skeletons stabilized by resonance. When formic acid was present in the jet, the spectra of four m-anisic acid–formic acid heterodimer conformers were detected. The complexes are formed from the interaction of formic acid with each of the four observed conformers of m-anisic acid through the typical acid-acid sequential cycle with a double O-H···O=C hydrogen bond interaction in a pseudo eightmembered ring arrangement. The four heterodimer forms retain the same four m-anisic acid conformational geometries and the same relative abundances of the m-anisic acid monomeric forms in the supersonic expansion. This proves that a kinetic mechanism dominates the formation of complexes in the jet.
PB American Chemical Society
SN 1089-5639
YR 2019
FD 2019
LK http://uvadoc.uva.es/handle/10324/46374
UL http://uvadoc.uva.es/handle/10324/46374
LA spa
NO The Journal of Physical Chemistry A, 2019, 123, 6772-6780
DS UVaDOC
RD 11-may-2024