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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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Marianski,  Mateusz
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Hoffmann,  Waldemar
Institut für Chemie und Biochemie, Freie Universität Berlin;
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Pagel,  Kevin
Institut für Chemie und Biochemie, Freie Universität Berlin;
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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c8sc03040e.pdf
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Citation

Warzok, U., Marianski, M., Hoffmann, W., Turunen, L., Rissanen, K., Pagel, K., et al. (2018). Surprising solvent-induced structural rearrangements in large [N..I+..N] halogen-bonded supramolecular capsules: an ion mobility-mass spectrometry study. Chemical Science, 9, 8343-8351. doi:10.1039/c8sc03040e.


Cite as: http://hdl.handle.net/21.11116/0000-0002-9E62-E
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