Abstract
Abstract A single crystal NMR investigation has been made of proton transfer in benzoic acid at low temperature when phonon-assisted tunnelling dominates this dynamics. Precise knowledge of the hydrogen coordinates was employed to minimise the assumptions that are made in reducing NMR data to provide information on the rate of proton transfer and the properties of the potential energy surface. The geometry associated with the molecular rearrangement was investigated through orientation dependent measurements of the proton spin–lattice relaxation time, while the temperature dependence of the proton dipolar spectrum was used to evaluate the energy difference between the two benzoic acid tautomers. Below 100 K, this energy asymmetry is constant.
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