Structural Chemistry

, Volume 3, Issue 1, pp 63–65 | Cite as

Hydrogen-bonding contributions to the lattice energy of salts for second harmonic generation

  • Christer B. Aakeröy
  • Kenneth R. Seddon
  • Maurice Leslie


The lattice energies of a series of organic dihydrogenphosphate salts capable of second harmonic generation (SHG) have been calculated. These calculations, coupled with empirical data, indicate that a minimum of 20–25% of the lattice energy arises from hydrogen-bond interactions. Hydrogen bonding is shown to be a strong enough force to have a profound effect on the overall packing and crystal geometry of such ionic materials, and is thus an important factor to consider for crystal engineering.


Hydrogen Physical Chemistry Hydrogen Bonding Empirical Data Second Harmonic Generation 
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Copyright information

© Plenum Publishing Corporation 1992

Authors and Affiliations

  • Christer B. Aakeröy
    • 1
  • Kenneth R. Seddon
    • 1
  • Maurice Leslie
    • 2
  1. 1.School of Molecular SciencesUniversity of SussexFalmerUK
  2. 2.S.E.R.C. Daresbury LaboratoryWarringtonUK

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