Jump to main content
Jump to site search


Corannulene and its complex with water: a tiny cup of water

Author affiliations

Abstract

We report the results of a broadband rotational spectroscopic study of corannulene, C20H10, all of its singly substituted 13C isotopologues, and a complex of corannulene with one molecule of water. Corannulene is a polycyclic aromatic hydrocarbon (PAH) with a curved structure that results in a large dipole moment. Observation of 13C isotopic species in natural abundance allowed us to precisely determine the molecular structure of corannulene. The differences between the experimental C–C bond lengths correlate to the double-bond character predicted using Kekule's resonance structures. In the case of C20H10–H2O, the water molecule is found to reside inside the bowl-like structure of corannulene. Our experimental and theoretical results indicate that the water molecule rotates freely around its C2 axis and that dispersion interactions are the dominant contribution to the binding.

Graphical abstract: Corannulene and its complex with water: a tiny cup of water

Back to tab navigation
Please wait while Download options loads

Supplementary files

Publication details

The article was received on 08 Mar 2017, accepted on 18 Apr 2017 and first published on 25 Apr 2017


Article type: Paper
DOI: 10.1039/C7CP01506B
Citation: Phys. Chem. Chem. Phys., 2017, Advance Article
  • Open access: Creative Commons BY license
  •   Request permissions

    Corannulene and its complex with water: a tiny cup of water

    C. Pérez, A. L. Steber, A. M. Rijs, B. Temelso, G. C. Shields, J. C. Lopez, Z. Kisiel and M. Schnell, Phys. Chem. Chem. Phys., 2017, Advance Article , DOI: 10.1039/C7CP01506B

    This article is licensed under a Creative Commons Attribution 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.

    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