Inter- and intramolecular aryl-aryl-interactions in partially fluorinated ethylenedioxy-bridged bisarenes

Weddeling J-H, Vishnevskiy Y, Neumann B, Stammler H-G, Mitzel NW (Accepted)
Chemistry - A European Journal.

Zeitschriftenaufsatz | Angenommen | Englisch
 
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Abstract / Bemerkung
Several ethylenedioxy-bridged bisarenes with a variety of type and number of aryl groups were synthesized to study non-co-va-lent dispersion-driven inter- and intramolecular aryl - aryl-interactions in the solid state and gas phase. Intramolecular interactions are pre-fe-rably found in the gas phase. DFT calculations of dispersion-cor-rec-ted energy scans for rotations around the ethy-lene-dioxy-bridge and optimized structures show larger inter-acting aromatic groups to in-crea-se the dispersion energy. Single molecule structures generally a-dopt folded conformations with short intramolecular aryl-aryl-con-tacts. Gas electron diffraction experiments were per-formed exem-pla-rily for 1-(pentafluorophenoxy)-2-(phenoxy)-ethane. A new pro-cedure for struc-ture refinement was developed to deal with the confor-ma-tional com-plexity of such molecules. The results are an experimental con-fir-ma-tion of the existence of folded conformations of this molecule with short -intramolecular aryl-aryl distances in the gas phase. Solid-state struc-tures are dominated by stret-ched structures with-out intra-mo-le-cular aryl - aryl-interactions but in-ter-actions with neigh--boring molecules. © 2020 Wiley-VCH GmbH.
Erscheinungsjahr
2020
Zeitschriftentitel
Chemistry - A European Journal
eISSN
1521-3765
Page URI
https://pub.uni-bielefeld.de/record/2945773

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Weddeling J-H, Vishnevskiy Y, Neumann B, Stammler H-G, Mitzel NW. Inter- and intramolecular aryl-aryl-interactions in partially fluorinated ethylenedioxy-bridged bisarenes. Chemistry - A European Journal. Accepted.
Weddeling, J. - H., Vishnevskiy, Y., Neumann, B., Stammler, H. - G., & Mitzel, N. W. (Accepted). Inter- and intramolecular aryl-aryl-interactions in partially fluorinated ethylenedioxy-bridged bisarenes. Chemistry - A European Journal. doi:10.1002/chem.202003259
Weddeling, J. - H., Vishnevskiy, Y., Neumann, B., Stammler, H. - G., and Mitzel, N. W. (Accepted). Inter- and intramolecular aryl-aryl-interactions in partially fluorinated ethylenedioxy-bridged bisarenes. Chemistry - A European Journal.
Weddeling, J.-H., et al., Accepted. Inter- and intramolecular aryl-aryl-interactions in partially fluorinated ethylenedioxy-bridged bisarenes. Chemistry - A European Journal.
J.-H. Weddeling, et al., “Inter- and intramolecular aryl-aryl-interactions in partially fluorinated ethylenedioxy-bridged bisarenes”, Chemistry - A European Journal, Accepted.
Weddeling, J.-H., Vishnevskiy, Y., Neumann, B., Stammler, H.-G., Mitzel, N.W.: Inter- and intramolecular aryl-aryl-interactions in partially fluorinated ethylenedioxy-bridged bisarenes. Chemistry - A European Journal. (Accepted).
Weddeling, Jan-Henrik, Vishnevskiy, Yury, Neumann, Beate, Stammler, Hans-Georg, and Mitzel, Norbert W. “Inter- and intramolecular aryl-aryl-interactions in partially fluorinated ethylenedioxy-bridged bisarenes”. Chemistry - A European Journal (Accepted).

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