4.7 Article

Finding the Perfect Match: Halogen vs Hydrogen Bonding

Journal

CRYSTAL GROWTH & DESIGN
Volume 15, Issue 10, Pages 4756-4759

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/acs.cgd.5b01260

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Funding

  1. Helen and Martin Kimmel Center for Molecular Design
  2. Schmidt Minerva Center
  3. US-Israel Binational Science Foundation (BSF)

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The prediction of supramolecular structures involving different weak interactions is challenging. In this study, single-atom modifications to the molecular structure allow us to address their hierarchy. The resulting series of unimolecular assemblies are mainly based on halogen bonding (XB), hydrogen bonding (HB), or a combination of both. By varying the XB donor (F, Cl, Br, and I) and the XB and HB acceptors (pyridine vs pyridine-N-oxide) we can control the primary motifs directing the structure.

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