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Ultrashort Hδ+Hδ- intermolecular distance in a supramolecular system in the solid state.

Alfonso García-MárquezAntonio FronteraThierry RoisnelRafael Gramage-Doria
Published in: Chemical communications (Cambridge, England) (2021)
Herein we report experimental evidence for the shortest intermolecular distance reported for two electronically-different hydrogen atoms in the solid state. The Hδ+Hδ- non-covalent interaction was studied using theoretical calculations indicating that electrostatic and dispersion forces are of paramount importance.
Keyphrases
  • solid state
  • energy transfer
  • molecular dynamics simulations
  • density functional theory