Abstract
In a combined experimental and theoretical 2D-IR and pump-probe study we determine how ultrafast solvent motions govern the vibrational dynamics of the hydrated proton and the key role played by the underlying proton potential.
Highlights
In the range of the proton transfer mode
We compare vibrational dynamics of H5O2+ in CH3CN with protons solvated in aqueous acid solutions by femtosecond 2D-IR and pump-probe measurements
A major result is the observation of a v=1 → v=2 excited-state absorption blue-shifted to higher frequencies compared to the fundamental v=0 → v=1 transition, confirming the double-well character of the Zundel cation proton transfer mode potential, as opposed to the more typical red-shifted excited state absorption for single-well anharmonic oscillators
Summary
In the range of the proton transfer mode. A major result is the observation of a v=1 → v=2 excited-state absorption blue-shifted to higher frequencies compared to the fundamental v=0 → v=1 transition, confirming the double-well character of the Zundel cation proton transfer mode potential, as opposed to the more typical red-shifted excited state absorption for single-well anharmonic oscillators. To distinguish contributions from different hydrated proton species in aqueous acid solutions, we first investigated the Zundel cation H5O2+ prepared in acetonitrile (CH3CN) solution [7].
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