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IR spectrum of the H(5)O(2)(+) cation in the context of proton disolvates L-H(+)-L.

IR spectrum of the H(5)O(2)(+) cation in the context of proton disolvates L-H(+)-L. Research Abstract Details 

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  • IR spectrum of the H(5)O(2)(+) cation in the context of proton disolvates L-H(+)-L. Abstract Text:

    evgenii s stoyanovEvgenii S Stoyanov,christopher a reedChristopher A Reed,

    The H(5)O(2)(+) 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 [H(5)O(2)(+) x 4Solv] are formed via H-bonding with the terminal O-H groups. In the infrared spectrum, the nu(s)OH and nu(as)OH 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 H(5)O(2)(+) 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 ( approximately 1300 cm(-1)) and e ( approximately 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 Angstrom), 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.

    IR spectrum of the H(5)O(2)(+) cation in the context of proton disolvates L-H(+)-L. Publishing Authors By Initials

    es stoyanovES Stoyanov,ca reedCA Reed,

    For similar biomechanics: vibration research abstracts see: biomechanics: vibration research

    PUBMED ID PMID:

    MEDLINE DATE:

    IR spectrum of the H(5)O(2)(+) cation in the context of proton disolvates L-H(+)-L. Journal Published:

    PUBLICATION TYPE: Research Support, N.I.H., Extr

    Journal: The journal of physical chemistry. A

    VOLUME: 110

    Page Numbers: 12992-3002

    Journal Abbreviation:

    ISSN: 1089-5639

    DAY: 7

    MONTH: Dec

    YEAR: 2006

    IR spectrum of the H(5)O(2)(+) cation in the context of proton disolvates L-H(+)-L. Information

    Number of References:

    LANGUAGE: eng

    NlmUniqueID: 9890903

    IR spectrum of the H(5)O(2)(+) cation in the context of proton disolvates L-H(+)-L. Keywords Mesh Terms:

    KEYWORDS: Vibration

    MESH TERMS: chemistry

    Chemical & Substance for Abstract: IR spectrum of the H(5)O(2)(+) cation in the context of proton disolvates L-H(+)-L. Information

    Substance Name: Solvents

    Registry Number: 0

    Grant and Affiliation Information for IR spectrum of the H(5)O(2)(+) cation in the context of proton disolvates L-H(+)-L.

    AFFILIATION: Department of Chemistry, University of California, Riverside, Riverside, California 92521, USA.

    Country: United States

    United States Research PublicationUnited States Research Publication

    AGENCY: United States NIGMS

    GRANT: GM 23851

    ACRONYM: GM

    MEDLINETA: J Phys Chem A

    REFSOURCE:

    DATABASENAME:

    ACCESSION NUMBER:

    Number Hits: 0

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