The proton momentum distribution in strongly H-bonded phases of water; a critical test of electrostatic models

Details The proton momentum distribution in strongly H-bonded phases of water; a critical test of electrostatic models The proton momentum distribution in strongly H-bonded phases of water; a critical test of electrostatic models

2011-01-24

arxiv.org/abs/1101.4630v1

Physics

Chemical Physics

Scientific paper

Water is often viewed as a collection of monomers interacting electrostatically with each other. We compare the water proton momentum distributions from recent neutron scattering data with those calculated from two electronic structure based models. We find that below 500 K the electrostatic models are not able to even qualitatively account for the sizable vibrational zero-point contribution to the enthalpy of vaporization. This discrepancy is evidence that the change in the proton well upon solvation cannot be entirely explained by electrostatic effects alone.

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