Structure and spectral features of H+(H2O)7: Eigen versus Zundel forms
نویسندگان
چکیده
منابع مشابه
A THz/FTIR fingerprint of the solvated proton: evidence for Eigen structure and Zundel dynamics.
In continuation of earlier work on La(III), Ni(II) and Mn(II) halides, we present low frequency (30-400 cm(-1)) spectra of solvated HCl and HBr as a function of solute concentration. This frequency range provides direct access to water network modes and changes induced by solvated solutes. We were able to dissect the spectra into components associated to solvated ions and ion pairs using a chem...
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The "Eigen cation", H3O+(H2O)3, is the most prevalent protonated water structure in the liquid phase and the most stable gas-phase isomer of the H+(H2O)4 cluster. Nevertheless, its 50 K argon predissociation vibrational spectrum contains unexplainable low frequency peak(s). We have simulated the IR spectra of 10 gas-phase H+(H2O)4 isomers, that include zero to three argon ligands, using dipole ...
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Traditionally, infrared band assignment for the protonated water clusters, such as H(+)(H2O)5, is based on their lowest energy isomer. Recent experiments extend the observation spectral window to lower frequencies, for which such assignment appears to be inadequate. Because this hydrogen-bonded system is highly anharmonic, harmonic spectral calculations are insufficient for reliable interpretat...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2006
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2404659