4.7 Article

Symmetry of [N-X-N]+ halogen bonds in solution

Journal

CHEMICAL COMMUNICATIONS
Volume 48, Issue 10, Pages 1458-1460

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c1cc15839b

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Funding

  1. Swedish [2007-4407, 621-2008-3562]
  2. European Research Council [259638]
  3. Carl Tryggers and the Ake Wibergs Foundation
  4. European Research Council (ERC) [259638] Funding Source: European Research Council (ERC)

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The first investigation of halogen bond symmetry is presented. In contrast to related hydrogen bonds, the iodous halogen bond is symmetric in solution and in the crystal. The bromous analogue is symmetric in solution, but shows asymmetry in the solid state. NMR results are in agreement with DFT predictions.

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