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Issue 23, 2018
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Microsolvated complexes of ibuprofen as revealed by high-resolution rotational spectroscopy

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Abstract

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.

Graphical abstract: Microsolvated complexes of ibuprofen as revealed by high-resolution rotational spectroscopy

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Supplementary files

Article information


Submitted
15 Feb 2018
Accepted
25 Apr 2018
First published
03 May 2018

This article is Open Access

Phys. Chem. Chem. Phys., 2018,20, 15635-15640
Article type
Paper

Microsolvated complexes of ibuprofen as revealed by high-resolution rotational spectroscopy

P. Pinacho, A. Krin, C. Pérez, S. Zinn, J. C. López, S. Blanco and M. Schnell, Phys. Chem. Chem. Phys., 2018, 20, 15635
DOI: 10.1039/C8CP01088A

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