Proton Transport (IMAGE)

Forschungsverbund Berlin

Proton Transport

Caption

Monitoring proton transport of 7-hydroxyquinoline in water/methanol solvent mixtures in real time from the reactant neutral N* via the intermediate cation C* to the zwitterionic product Z* with UV-pump/IR-probe spectroscopy of IR-active marker modes (a), and following ab initio molecular dynamics trajectories (b). The snapshot in (b) shows the moment when the first reaction step, proton abstraction from a nearby water molecule by the nitrogen atom of 7-hydroxyquinoline (above, blue atom), just has taken place and an OH- ion (orange) has been formed, surrounded by other solvent molecules.

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MBI

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