Fig. 3.

D₂ vibrational predissociation spectra of (A) H₃O⁺, (C) CH₃NH₃⁺, and (E) K⁺ embedded in 18C6. Corresponding harmonic predictions [B3LYP/6–311++G(2d,2p) scaled by 0.99556 below 2,700 cm⁻¹ and by 0.95732 above 2,700 cm⁻¹] for each species are included as inverted traces in B, D, and F. The bond lengths in traces A, C, and E correspond to the distances, calculated at the same level of theory, described in the Inset at the Top of the figure.