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

TOC_Warzok_pub_071

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Warzok, U.; Marianski, M.; Hoffmann, W.; Turunen, L.; Rissanen, K.; Pagel, K.; Schalley, C. A.* – 2018

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.

Title
Surprising solvent-induced structural rearrangements in large [N···I+···N] halogen-bonded supramolecular capsules: an ion mobility-mass spectrometry study
Author
Warzok, U.; Marianski, M.; Hoffmann, W.; Turunen, L.; Rissanen, K.; Pagel, K.; Schalley, C. A.*
Date
2018
Identifier
10.1039/C8SC03040E
Source(s)
Citation
Chem. Sci. 2018, 9, 8343–8351.
Type
Text
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