Tracking coherent vibronic and vibrational motions in ultrafast proton transfer

Decades of theoretical and experimental work on excited-state intramolecular proton transfer systems indicate that electronic-vibrational (vibronic) coupling plays a significant role in ultrafast proton transfer reactions. However, the participating atomic motions of this chemical reaction have yet to be directly observed. The challenge in observing these rapid proton transfer processes lies in simultaneously probing both the electronic and vibrational degrees of freedom. Addressing these challenges requires advanced spectroscopic techniques that provide multidimensional (electronic and vibrational) structural information with femtosecond time resolution. Here, we use multidimensional electronic-vibrational spectroscopy to directly observe the vibronic motions driving the non-adiabatic excited-state proton transfer process in 10-hydroxybenzo[h]quinoline. We measure the interplay between high and low-frequency vibrations, mapping the proton transfer trajectory on two vibronically coupled..., , This dataset contains data published in an article understanding the role of vibronic coherence in ultrafast proton transfer. The following files are contained in the dataset with their description below:

* **Source_Data_Main_text.xlsx**
* Tab 1 – Figure 1b contains the FTIR data of hydroxybenzo[h]quinoline (HBQ) in tetrachloroethylene (TCE). The solvent spectrum is subtracted from this data. The w axis is in wavenumbers (cm ^-1^) and the y-axis is in absorbance units.
* Tab2– Figure 1bb contains the spectrum of the mid-IR probe. The x axis, w, is in wavenumbers (cm ^-1^) and the y-axis is in intensity (arbitrary units).
* Tab3– Figure 1c contains the transient infrared spectrum at a time delay of 10 picoseconds. The x axis, w3, is in wavenumbers (cm ^-1^) and the y-axis is in differential absorbance, delta_A (mOD).
* Tab 4 – Figure 2a contains the spectrum of the near UV pump pulses. The x axis, w, is in wavenumbers (cm ^-1^) and the y-axis is in intensity (arbitrary units).
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