Erratum: Characterization of the solvation dynamics of an ionic liquid via molecular dynamics simulation (J. Chem. Phys. (2006) 125(6) (064502) (10.1063/1.2227026))

Abstract

Figure 6 is erroneous. The functions [formula omitted], [formula omitted], [formula omitted] and [formula omitted] are incorrect as shown; the corrected Figure is shown in Fig. 1. While the revised forms are significantly different than those reported, this has relatively little impact on the conclusions of the paper. The observation that the most rapid response of the system is rovibrational is unchanged on revision, as is the observation that this rapid rovibrational response accounts for only a tiny fraction of the total response. It is also still true that, after this initial response, the ionic translational contribution begins to dominate the ionic response. These were the central conclusions drawn from Fig. 6, and they are unchanged. The only significant change to the conclusions of Fig. 6 is that the apparent correlation between [formula omitted] and [formula omitted] is an artifact of the error. In its absence, there is no reason to suspect that the initial dynamics are collective. The discussion beginning in the second full paragraph of page 9 and ending at the top of page 10 may be technically correct [i.e., collective dynamics could exist that do not lead to pairwise correlations in [formula omitted]], but no longer appears relevant. One novel feature emerges in correction, which is that the anionic rovibrational response reverses itself over the course of the [formula omitted] time window. This likely represents librational motion, undamped on this timescale because of the ion's high symmetry and relatively weak (fluorous) interactions with neighboring cations. This is consistent with the model of ionic “rattling” in solvent cages, discussed elsewhere in the same paper. © 2007, American Institute of Physics. All rights reserved.