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- W1997682316 abstract "The H5O2+ ion has been studied in chlorocarbon, benzene, and weakly coordinating anion environments to bridge the gap between the gas-phase and traditional condensed-phase investigations. Symmetrical cations of the type [H5O2+·4Solv] are formed via H-bonding with the terminal O−H groups. In the infrared spectrum, the νsOH and νasOH vibrations behave in a manner similar to those of common water molecules: the stronger is the H-bonding interaction with the surroundings, the lower is the frequency shift. A consistent pattern of IR bands from the central O−H+−O group is identified, regardless of the strength of the interaction of H5O2+ with its environment. Three intense bands develop: a (860−995 cm-1), b (1045−1101 cm-1), and c (1672−1700 cm-1), as well as two weak bands, d (∼1300 cm-1) and e (∼1400−1500 cm-1). These fingerprint bands are highly characteristic for vibrations of O−H−O group irrespective of formal charge. They are seen in symmetrical proton disolvates of the type L−H+−L, where L is an O-atom donor (alcohol, ether, ketone, phosphate, etc.), and in [A−H−A]- acid salts (A- = oxyanion). The commonality is equivalency of the two O-atoms, a short O···O distance (ca. 2.40 Å), and a flat-bottomed potential well for the bridging proton, that is, a short, strong, low-barrier H-bond. Assignments for bands a−e are suggested in an attempt to resolve inconsistencies between experimental and calculated data." @default.
- W1997682316 created "2016-06-24" @default.
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- W1997682316 date "2006-11-11" @default.
- W1997682316 modified "2023-09-30" @default.
- W1997682316 title "IR Spectrum of the H<sub>5</sub>O<sub>2</sub><sup>+</sup> Cation in the Context of Proton Disolvates L−H<sup>+</sup>−L" @default.
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- W1997682316 doi "https://doi.org/10.1021/jp062879w" @default.
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