Jump to main content
Jump to site search

Issue 19, 2017
Previous Article Next Article

Binary twinned-icosahedral [B21H18] interacts with cyclodextrins as a precedent for its complexation with other organic motifs

Author affiliations

Abstract

The weakly coordinating binary macropolyhedral anion closo,closo-[B21H18] (B21; D3h symmetry) has been synthesized using a simplified strategy compared to that in the literature. While gas-phase complexes of B21 with β- and γ-cyclodextrin (CD) were detected using ESI FT-ICR spectrometric measurements, α-CD did not bind to the B21 guest. This spectroscopic evidence has been interpreted using quantum-chemical computations, showing that β- and γ-CD are able to interact with B21 due to their larger cavities, in contrast to the smaller α-CD. The hydridic B–H vectors of the B21 anion interact with K+ counterions and, via dihydrogen bonding, also with the partially positively charged hydrogens of the CD sugar units in the modeled β- and γ-CD complexes. In summary, it has been shown by combined spectrometric/computational analysis that macropolyhedral boron hydride anions with two counterions can form stable complexes with β- and γ-CD in the gas phase, offering a new perspective for the future investigation of this remarkable anion in the areas of supramolecular and medicinal chemistries.

Graphical abstract: Binary twinned-icosahedral [B21H18]− interacts with cyclodextrins as a precedent for its complexation with other organic motifs

Back to tab navigation

Supplementary files

Publication details

The article was received on 17 Feb 2017, accepted on 19 Apr 2017 and first published on 19 Apr 2017


Article type: Communication
DOI: 10.1039/C7CP01074E
Citation: Phys. Chem. Chem. Phys., 2017,19, 11748-11752
  • Open access: Creative Commons BY-NC license
  •   Request permissions

    Binary twinned-icosahedral [B21H18] interacts with cyclodextrins as a precedent for its complexation with other organic motifs

    S. M. Eyrilmez, E. Bernhardt, J. Z. Dávalos, M. Lepšík, P. Hobza, K. I. Assaf, W. M. Nau, J. Holub, J. M. Oliva-Enrich, J. Fanfrlík and D. Hnyk, Phys. Chem. Chem. Phys., 2017, 19, 11748
    DOI: 10.1039/C7CP01074E

    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