RT info:eu-repo/semantics/article
T1 Microsolvated complexes of ibuprofen as revealed by high-resolution rotational spectroscopy
A1 Pinacho Morante, Pablo
A1 Krin, Anna
A1 Pérez, Cristóbal
A1 Zinn, S.
A1 López Alonso, Juan Carlos
A1 Blanco Rodríguez, Susana
A1 Schnell, Melanie
K1 Quimica
K1 Espectroscopía de rotación
K1 Microsolvation
K1 Ibuprofen
K1 Rotational spectroscopy
K1 Structure
K1 Water cluster
K1 23 Química
K1 2301.13 Espectroscopia de Microondas
K1 2307 Química Física
AB Hydrogen-bonded complexes between ibuprofen and water generated in a supersonic expansion were characterized using chirped-pulse Fourier transform microwave spectroscopy in the 2–8 GHz frequency range. Four spectra were observed allowing the determination of their rotational parameters. Comparison with quantum-chemical calculations led to their identification as the lowest energy 1 : 1 ibuprofen–water complexes. These correspond to the complexes between water and the four different conformers ofibuprofen previously detected in the gas phase, owing to their similar stabilization energies and abundances. Water seems to not change the conformational distribution of ibuprofen.
PB Royal Society of Chemistry
SN 1463-9076
YR 2018
FD 2018
LK http://uvadoc.uva.es/handle/10324/46233
UL http://uvadoc.uva.es/handle/10324/46233
LA spa
NO Physical Chemistry Chemical Physics, 2018, vol. 20, p. 15635-15640
NO Producción Científica
DS UVaDOC
RD 27-jul-2024