Abstract
Pressure induced variations of the proton localisation in the hydrogen bond are reflected by changes of the NQR frequency observed also for nuclei located outside the hydrogen bond. A variational correlated ground state wavefunction theory is applied to investigate the high pressure deformation of hydrogen-bond potential. The evolution of the hydrogen bond potential with increasing pressure and the effects of deuterium substitution on the quantum-fluctuation -driven phenomena are discussed. High pressure NQR studies were performed for KDP-like hydrogen bonded ferroelectrics and several deuterated and undeuterated crystals. The correlation between the magnitude of geometric isotope effect and the NQR-frequency isotope shift as well as the value of pressure coefficient have been found and explained on the basis of ground-state variational theory in terms of microscopic parameters of a compressed single hydrogen bond. It is shown that the value of the pressure coefficient of the NQR frequency is related to the degree of proton transfer in hydrogen bonded complexes. The utility and significance of the high pressure NQR techniques as well as some technical aspects of the high pressure radiospectroscopic studies are discussed and demonstrated on the basis of some selected results.
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