Abstract
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.
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Aakeröy, C.B., Seddon, K.R. & Leslie, M. Hydrogen-bonding contributions to the lattice energy of salts for second harmonic generation. Struct Chem 3, 63–65 (1992). https://doi.org/10.1007/BF00671981
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DOI: https://doi.org/10.1007/BF00671981