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  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., 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.

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 Creators:
Warzok, Ulrike1, Author
Marianski, Mateusz2, Author              
Hoffmann, Waldemar1, 2, Author              
Turunen, Lotta3, Author
Rissanen, Kari3, Author
Pagel, Kevin1, 2, Author              
Schalley, Christoph A.1, 4, Author
Affiliations:
1Institut für Chemie und Biochemie, Freie Universität Berlin, Takustraße 3, 14195 Berlin, Germany, ou_persistent22              
2Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              
3Department of Chemistry, NanoScience Center, University of Jyväskylä, P. O. Box 35, 40014 Jyväskylä, Finland, ou_persistent22              
4School of Life Sciences, Northwestern Polytechnical University, 127 Youyi Xilu, Xi'an, P. R. China, ou_persistent22              

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 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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Language(s): eng - English
 Dates: 2018-07-092018-09-052018-09-05
 Publication Status: Published online
 Pages: 9
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1039/c8sc03040e
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Title: Chemical Science
  Other : Chem. Sci.
Source Genre: Journal
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Publ. Info: Cambridge, UK : Royal Society of Chemistry
Pages: - Volume / Issue: 9 Sequence Number: - Start / End Page: 8343 - 8351 Identifier: ISSN: 2041-6520
CoNE: https://pure.mpg.de/cone/journals/resource/2041-6520