The structure and vibrational spectra of proton hydrates: as a simplest stable ionстатья
Статья опубликована в высокорейтинговом журнале
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Аннотация:Ability to form a strong quasisymmetric H-bond is a fundamental property of the proton. This H-bond determines the stability of the proton hydrates and acid–base complexes, which defines the specific features (catalytic, electrochemical, etc.) of acidic solutions. The protonated water dimer can be treated as a simplest stable proton hydrate in aqueous acid solutions. Its lifetime is larger than characteristic times of the stretching and bending vibrations, and it behaves as an individual ion with unique and distinctive structure and IR/Raman spectra. is characterised by specific structural and spectroscopic properties which only slightly depend on further hydration: short O ··· O distance (<2.45 Å), IR-intensive band near 1720 cm−1 and Raman intensive line around 500 cm−1. The broad continuous IR absorption is a characteristic feature of the ion in a strongly solvating medium, particularly, in acid solutions. is a distinct chemical unity that participates in the equilibrium and non-equilibrium stages of the acid catalysed processes. The H3O+, and H3O+(3H2O) ions are short-lived species in acid solutions. H3O+ and exist as the individual entities in liquid phase under special conditions.