2024-03-28T14:33:50Zhttps://uvadoc.uva.es/oai/requestoai:uvadoc.uva.es:10324/462332021-06-23T11:56:38Zcom_10324_1186com_10324_931com_10324_894col_10324_1404
Microsolvated complexes of ibuprofen as revealed by high-resolution rotational spectroscopy
Pinacho Morante, Pablo
Krin, Anna
Pérez, Cristóbal
Zinn, S.
López Alonso, Juan Carlos
Blanco Rodríguez, Susana
Schnell, Melanie
Quimica
Espectroscopía de rotación
Microsolvation
Ibuprofen
Rotational spectroscopy
Structure
Water cluster
23 Química
2301.13 Espectroscopia de Microondas
2307 Química Física
Producción Científica
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 of
ibuprofen previously detected in the gas phase, owing to their similar stabilization energies and abundances. Water seems to not change the conformational distribution of ibuprofen.
Ministerio de economia, industria y competitividad CTQ2016-75253-P
2021-04-16T17:40:55Z
2021-04-16T17:40:55Z
2018
info:eu-repo/semantics/article
info:eu-repo/semantics/draft
Physical Chemistry Chemical Physics, 2018, vol. 20, p. 15635-15640
1463-9076
http://uvadoc.uva.es/handle/10324/46233
10.1039/C8CP01088A
15635
23
15640
Physical Chemistry Chemical Physics
20
1463-9084
spa
https://pubs.rsc.org/en/content/articlelanding/2018/cp/c8cp01088a#!divAbstract
info:eu-repo/semantics/openAccess
Royal Society of Chemistry
application/pdf
Royal Society of Chemistry
https://uvadoc.uva.es/bitstream/10324/46233/3/Ibuprofen-W_PCCP_2018.pdf.jpg
Hispana
TEXT
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UVaDOC. Repositorio Documental de la Universidad de Valladolid
http://uvadoc.uva.es/handle/10324/46233