Surprising solvent-induced structural rearrangements in large [N⋯I+⋯N] halogen-bonded supramolecular capsules : an ion mobility-mass spectrometry study
Warzok, U., Marianski, M., Hoffmann, W., Turunen, L., Rissanen, K., Pagel, K., & Schalley, C. A. (2018). Surprising solvent-induced structural rearrangements in large [N⋯I+⋯N] halogen-bonded supramolecular capsules : an ion mobility-mass spectrometry study. Chemical Science, 9 (44), 8343-8351. doi:10.1039/C8SC03040E
Published inChemical Science
© the Authors, 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 solventdependent equilibrium between the hexamer and an unprecedented pentameric [N/I +/N] halogenbonded 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.