HyDRA Database

A curated, growing experimental database of hydrogen-bonded water OH stretching fundamental vibration wavenumbers in vacuum-isolated neutral monohydrate complexes at low temperature. Suggestions for further published experimental entries (mail to msuhm@gwdg.de) are welcome. If there is evidence for anharmonic resonances affecting the OH stretching mode, the raw wavenumber value for the dominant spectroscopic signal (upper graph) is complemented by a deperturbed value (lower graph) which corresponds to the intensity centroid, assuming that the resonance partners carry negligible intrinsic intensity (dark states).

For further information on the HyDRA project, please consult https://doi.org/10.1039/D2CP01119K and https://doi.org/10.1039/d3cp01216f. The database may serve as a training platform for future HyDRA blind challenges. Hydrogen bond-induced redshifts from the water monomer symmetric stretching vibration may be calculated by subtracting the OH stretching fundamental wavenumber from 3657cm-1.