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Updated: Feb 1, 2026

Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry
Published on: June 8, 2022
Surprising solvent-induced structural rearrangements in large [N···I+···N] halogen-bonded supramolecular capsules: an
Ulrike Warzok1, Mateusz Marianski2, Waldemar Hoffmann1,2
1Institut für Chemie und Biochemie , Freie Universität Berlin , Takustraße 3 , 14195 Berlin , Germany .
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.
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