Effective local anharmonic potentials in solids. A model approach

The EPR evidence of local hydrogen bond distortion evoked by ions in crystals

“…This may cause the change of proton adiabatic potential on the bond. As obtained by means of quantum chemical calculations [10], the increase of mean number n of electrons on the hydrogen bond results in a decrease of the critical value R OO of bond length at which the two potential minima join into a central one ( R = −0.04 Å at n = 0.2). Data given in [11] (where the role of hydrogen bonds for electron properties of transition-metal compounds was investigated) also point out the correlation between the excess electron charge on one end of the hydrogen bond and the possible proton localization.…”