engleski

Inconsistency of experimental data concerning the H-bond double-well barrier in solid carboxylic acids

In recent papers on solid carboxylic acids data appear on the energy difference Δ E between the two lowest states (two dimer configurations in the crystal) and on the mean activaton energy act for simultaneous double proton exchange. The numerical values, indirectly obtained from experiments, are in significant disagreement with the energy of the OH stretching vibration observed by Raman spectroscopy as well as with the relevant calculation for double-minimum potentials. Therefore the quoted experiments should not be considered as direct evidence for a dynamic double proton exchange in solid carboxylic acids

proton transfer ; benzoic acid ; Raman spectroscopy ; hydrogen bonding ; double well barrier

nije evidentirano