Abstract
We characterize the transient solvent-dependent OH-stretching frequency shifts of photoacid 2-naphthol hydrogen-bonded with CH3CN in the S0- and S1-states using a combined experimental and theoretical approach, and disentangle specific hydrogen-bonding contributions from nonspecific dielectric response.
Highlights
A marked red-shift of the OH-stretching mode, induced by hydrogen bonding with the solvent, can be observed for the steady-state IR spectra of 2-naphthol (2N) in the S0-state (Figure 1a)
In order to understand the decrease in pKa induced by the electronic excitation of 2-naphthol, the ultrafast response of the OH-stretching mode is studied as it provides a direct probe of the local structure and dynamics of hydrogen bonds in photoacid-base complexes
We correlate the OH-stretching frequency shifts in the ground and excited electronic states with the electronic charge redistributions induced by optical excitation, and we analyze the effect of solute-solvent interactions
Summary
A marked red-shift of the OH-stretching mode, induced by hydrogen bonding with the solvent, can be observed for the steady-state IR spectra of 2-naphthol (2N) in the S0-state (Figure 1a). In order to understand the decrease in pKa induced by the electronic excitation of 2-naphthol, the ultrafast response of the OH-stretching mode is studied as it provides a direct probe of the local structure and dynamics of hydrogen bonds in photoacid-base complexes.
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