RT info:eu-repo/semantics/article
T1 Competition Between Intra‐ and Intermolecular Hydrogen Bonding:            o            ‐Anisic Acid⋅⋅⋅Formic Acid Heterodimer
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
K1 Quimica Fisica
K1 o-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 the heterodimer o-anisic acid – formic acid, formed in a supersonic expansion, have been probed by Fourier transform microwave spectroscopy. Two of these forms have the typical double intermolecular hydrogen bond cyclic structure. The other two show the o-anisic acid moiety bearing a trans-COOH arrangement supported by an intramolecular O-H··O bond to the neighbour methoxy group. In these conformers, formic acid interacts with o-anisic acid mainly through an intermolecular O-H···O hydrogen bond either to the O-H or to the C=O moieties, reinforced by other weak interactions. Surprisingly, the most abundant conformer in the supersonic expansion is the complex in which the o-anisic acid is in trans arrangement with the formic acid interacting with the O-H group. Such a trans-COOH arrangement in which the intramolecular hydrogen bond dominates over the usually observed double intermolecular hydrogen bond interaction has never been observed previously in an acid-acid dimer.
PB Wiley-V C H Verlag Gmb
SN 0947-6539
YR 2019
FD 2019
LK http://uvadoc.uva.es/handle/10324/46375
UL http://uvadoc.uva.es/handle/10324/46375
LA spa
NO Chemistry: A European Journal, 2019,  25, 12325-12331
NO Producción Científica
DS UVaDOC
RD 07-ago-2024