Reinterpretation of the Liquid Water Quasi-Elastic Neutron Scattering Spectra Based on a Nondiffusive Jump Reorientation Mechanism

Abstract

We show that previous interpretations of the liquid water quasielastic neutron scattering spectra have largely underestimated the water reorientation time. Through molecular dynamics simulations and an extended jump model, we reconcile these results with the times obtained via other techniques such as NMR and ultrafast infrared spectroscopies. This reinterpretation provides the first experimental confirmation that water reorientation is not a diffusive process, and occurs through large angular jumps.