Effects of Cations on the Hydrogen Bond Network of Liquid Water: New Results from X-ray Absorption Spectroscopy of Liquid Microjets
Cappa, Christopher D.; Smith, Jared D.; Messer, Benjamin M.; Cohen, Ronald C.; Saykally, Richard J.
Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (United States). Funding organisation: USDOE Director. Office of Science. Basic Energy Sciences (United States)2005
Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (United States). Funding organisation: USDOE Director. Office of Science. Basic Energy Sciences (United States)2005
AbstractAbstract
[en] The oxygen K-edge absorption spectra (XAS) of aqueous chloride solutions are measured for Li+, Na+, K+, NH+, C(NH2)3+, Mg2+ and Ca2+ and 4 M cation concentrations. Density functional theory calculation have indicated that the ion-specific spectral variations arise from direct electronic perturbation of the unoccupied orbitals due to the presence of the ions, as a result of differences in charge transfer from the water molecules onto the divalent cations
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LBNL--59955; BNR: KC0301020; AC02-05CH11231; Journal Publication Date: 2006
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Journal Article
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Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry; ISSN 1520-6106; ; v. 110; vp
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