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Issue 44, 2018
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Surprising solvent-induced structural rearrangements in large [N⋯I+⋯N] halogen-bonded supramolecular capsules: an ion mobility-mass spectrometry study

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Abstract

Coordinative halogen bonds have recently gained interest for the assembly of supramolecular capsules. Ion mobility-mass spectrometry and theoretical calculations now reveal the well-defined gas-phase structures of dimeric and hexameric [N⋯I+⋯N] halogen-bonded capsules with counterions located inside their cavities as guests. The solution reactivity of the large hexameric capsule shows the intriguing solvent-dependent equilibrium between the hexamer and an unprecedented pentameric [N⋯I+⋯N] halogen-bonded capsule, when the solvent is changed from chloroform to dichloromethane. The intrinsic flexibility of the cavitands enables this novel structure to adopt a pseudo-trigonal bipyramidal geometry with nine [N⋯I+⋯N] bonds along the edges and two pyridine binding sites uncomplexed.

Graphical abstract: Surprising solvent-induced structural rearrangements in large [N⋯I+⋯N] halogen-bonded supramolecular capsules: an ion mobility-mass spectrometry study

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Publication details

The article was received on 09 Jul 2018, accepted on 05 Sep 2018 and first published on 05 Sep 2018


Article type: Edge Article
DOI: 10.1039/C8SC03040E
Citation: Chem. Sci., 2018,9, 8343-8351
  • Open access: Creative Commons BY-NC license
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    Surprising solvent-induced structural rearrangements in large [N⋯I+⋯N] halogen-bonded supramolecular capsules: an ion mobility-mass spectrometry study

    U. Warzok, M. Marianski, W. Hoffmann, L. Turunen, K. Rissanen, K. Pagel and C. A. Schalley, Chem. Sci., 2018, 9, 8343
    DOI: 10.1039/C8SC03040E

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