Jump to main content
Jump to site search

Issue 6, 2015
Previous Article Next Article

The shape of ibuprofen in the gas phase

Author affiliations

Abstract

Ibuprofen's pain-relieving properties arise from its ability to physically block the active site of an enzyme, thus making its structural and conformational properties highly interesting. We here present a conformer-selective high-resolution broadband rotational spectroscopy study of gas-phase ibuprofen. The interpretation of the spectroscopic results is supported by quantum-chemical calculations. We identify four low-energy conformers that differ in the structural arrangement of the isobutyl moiety with respect to the remainder of the molecule. While the isobutyl group shows high structural flexibility – resulting in distinct low-energy conformers – the propanoic acid group favors a stable arrangement.

Graphical abstract: The shape of ibuprofen in the gas phase

Back to tab navigation

Supplementary files

Publication details

The article was received on 27 Nov 2014, accepted on 06 Jan 2015 and first published on 06 Jan 2015


Article type: Paper
DOI: 10.1039/C4CP05529B
Citation: Phys. Chem. Chem. Phys., 2015,17, 4538-4541
  • Open access: Creative Commons BY-NC license
  •   Request permissions

    The shape of ibuprofen in the gas phase

    T. Betz, S. Zinn and M. Schnell, Phys. Chem. Chem. Phys., 2015, 17, 4538
    DOI: 10.1039/C4CP05529B

    This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material and it is not used for commercial purposes.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements