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Title: 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