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

Pinacho, P., Krin, A., Pérez, C., Zinn, S., López, J. C., Blanco, S., et al. (2018). Microsolvated complexes of ibuprofen as revealed by high-resolution rotational spectroscopy. Physical Chemistry Chemical Physics, 20(23), 15635-15640. doi:10.1039/c8cp01088a.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0001-F609-0 Version Permalink: https://hdl.handle.net/21.11116/0000-0001-F60A-F
Genre: Journal Article

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2018
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https://dx.doi.org/10.1039/c8cp01088a (Publisher version)
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 Creators:
Pinacho, P.1, Author
Krin, A.2, 3, 4, Author           
Pérez, C.3, Author           
Zinn, S.3, Author           
López, J. C.1, Author
Blanco, S.1, Author
Schnell, M.2, 3, 4, Author           
Affiliations:
1Departamento de Química Física y Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, ou_persistent22              
2Deutsches Elektronen-Synchrotron, ou_persistent22              
3Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_1938292              
4Christian-Albrechts-Universität zu Kiel, Institute of Physical Chemistry, ou_persistent22              

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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.

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Language(s): eng - English
 Dates: 2018-02-152018-04-252018-06-212018-06-21
 Publication Status: Issued
 Pages: 6
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1039/c8cp01088a
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Title: Physical Chemistry Chemical Physics
  Abbreviation : Phys. Chem. Chem. Phys.
Source Genre: Journal
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Publ. Info: Cambridge, England : Royal Society of Chemistry
Pages: 6 Volume / Issue: 20 (23) Sequence Number: - Start / End Page: 15635 - 15640 Identifier: ISSN: 1463-9076
CoNE: https://pure.mpg.de/cone/journals/resource/954925272413_1