Issue 44, 2018

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

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

Supplementary files

Article information

Article type
Edge Article
Submitted
09 iyl 2018
Accepted
05 sen 2018
First published
05 sen 2018
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY-NC license

Chem. Sci., 2018,9, 8343-8351

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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