Cuts through the manifold of molecular H₂O potential energy surfaces in liquid water at ambient conditions.

ABSTRACT: The fluctuating hydrogen bridge bonded network of liquid water at ambient conditions entails a varied ensemble of the underlying constituting H₂O molecular moieties. This is mirrored in a manifold of the H₂O molecular potentials. Subnatural line width resonant inelastic X-ray scattering allowed us to quantify the manifold of molecular potential energy surfaces along the H₂O symmetric normal mode and the local asymmetric O-H bond coordinate up to 1 and 1.5 Å, respectively. The comparison of the single H₂O molecular potentials and spectroscopic signatures with the ambient conditions liquid phase H₂O molecular potentials is done on various levels. In the gas phase, first principles, Morse potentials, and stepwise harmonic potential recons

SUBMITTER: Pietzsch A 

PROVIDER: S-EPMC9282235 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature