Disentangling Acid‐Base Chemistry through Blue Shifting Hydrogen Bond Contributions
John T. Kelly,
Louis E. McNamara,
William E. Gilbraith
et al.
Abstract:The blue shifting of vibrational frequencies in hydrogen bonded molecules, as observed in aqueous environments, has been attributed to local partial charge transfer from solvation. Here, we extrapolate the blue shift model to the stronger ionic interactions between hydrogen bond acceptors associated with protonation through augmented pH levels and competitive interactions with counter ion pairing. The chemical model we utilize in this work is the aqueous pyridine‐pyridinium equilibrium to characterize the blue… Show more
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