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A. Pradhan and J. H. Vera, 58 See supplementary material at http://dx.doi.org/10.1063/1.3356027 for geometry optimized structures of the different systems studied Fig. S1, crystal parameters Table S1, symmetrized Pulay coordinates Tables S2?S8, calculated frequencies, intensities, irreducible group representation , and complete PEDs Tables S9?S16, far infrared experimental bands and assignments to group of calculated normal modes with major contributions to the PED Tables S17?S24, detailed comparison between experimental and annotated calculated spectra Figs, S2?S9, results from hydrogen-deuterium exchange Fig. S10, temperature effects Fig. S11, and counterion exchange Fig, 1986.