I will discuss the significance of the near electrostatic field in determining the aqueous solvation structure of SrCl2. I will compare and contrast simple point charge descriptions of molecular interaction to electronic structure models that incorporate detailed descriptions of charge density. The consequence of including this detail will be reflected in EXAFS, X-ray reflectivity, X-ray and neutron diffraction measurements. This provides insight into the driving forces for ion solvation, properties of concentrated electrolytes and the ion population at the air-water interface. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences.  Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

Role of the near field in determining the structure of aqueous SrCl<sub>2</sub> as determined by EXAFS, X-ray diffraction, neutron diffraction, and X-ray reflectivity

244th National Meeting (2012)

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Role of the near field in determining the structure of aqueous SrCl2 as determined by EXAFS, X-ray diffraction, neutron diffraction, and X-ray reflectivity

Role of the near field in determining the structure of aqueous SrCl₂ as determined by EXAFS, X-ray diffraction, neutron diffraction, and X-ray reflectivity