Effects of Cations on the Hydrogen Bond Network of Liquid Water:New Results from X-ray Absorption Spectroscopy of Liquid Microjets
Journal Article
·
· Journal of Physical Chemistry B
OSTI ID:919493
The oxygen K-edge absorption spectra (XAS) of aqueous chloride solutions are measured for Li{sup +}, Na{sup +}, K{sup +}, NH{sup +}, C(NH2){sub 3}{sup +}, Mg{sup 2+} and Ca{sup 2+} 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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Director. Office of Science. Basic EnergySciences
- DOE Contract Number:
- DE-AC02-05CH11231
- OSTI ID:
- 919493
- Report Number(s):
- LBNL-59955; #326; JPCBFK; R&D Project: 403501; BnR: KC0301020; TRN: US0806418
- Journal Information:
- Journal of Physical Chemistry B, Vol. 110; Related Information: Journal Publication Date: 2006; ISSN 1089-5647
- Country of Publication:
- United States
- Language:
- English
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