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Spectral Behavior of Hydrogen-Bonded Systems: Quasiparticle Model
150
Citations
39
References
1970
Year
Spectral TheoryEngineeringComputational ChemistryChemistrySpectra-structure CorrelationSpectral BehaviorPhysicsPhysical ChemistryHydrogenQuantum ChemistryCrystallographyIce CrystalHydrogen TransitionNatural SciencesHydrogen BondsCondensed Matter PhysicsApplied PhysicsHydrogen BondHydrogen-bonded LiquidPhononIon Structure
The spectral behavior of protons forming hydrogen bonds in a solid is investigated. The ionic defect H3O+ in the ice crystal is used as a basic model. Strong interaction with optical phonons (wagging vibrations) is considered to infinite order by construction of a quasiparticle analogous to the small polaron. We predict for the absorption profile a broad peak with some fine structure at the low-frequency side. Temperature dependence, red shifting, and mass dependence of the spectrum are discussed.
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