Article ID Journal Published Year Pages File Type
5409468 Journal of Molecular Liquids 2017 6 Pages PDF
Abstract
Polaronic exciton behavior is considered in water structure under elastic and inelastic interaction of water with the incident light. The consideration allows deriving water polarizability from kinetic energy estimation using oscillators corresponding to structural molecular parameters and features of the interaction with photon. Kinetic energy estimations of polaronic exciton successfully explain few excitation energies of gaseous and liquid water including 7.4499 and 21.38 eV that are found in a good agreement with Eex = 7.447 eV (λ = 166.6 nm) and near 56 nm (22 eV), which was observed under inelastic X-ray scattering. The energy estimations imply the view of several energetic levels of polaronic exciton depending on the local interactions in water. Water polarizability (α) estimated as the difference in behavior under elastic and inelastic interaction with the incident photon, is found to be 1.4693 Å3 that is slightly different from the adopted α = 1.470 Å3.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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