Hydration structures near finite-sized nanoscopic objects reconstructed using inelastic x-ray scattering measurements

J Phys Condens Matter. 2009 Oct 21;21(42):424115. doi: 10.1088/0953-8984/21/42/424115. Epub 2009 Sep 30.

Abstract

Recent work has shown that it is possible to use high resolution dynamical structure factor S(q,ω) data measured with inelastic x-ray scattering to reconstruct the Green's function of water, which describes its dynamical density response to a point charge. Here, we generalize this approach and describe a strategy for reconstructing hydration behavior near simple charge distributions with excluded volumes, with the long term goal of engaging hydration processes in complex molecular systems. We use this Green's function based imaging of dynamics method to generate hydration structures and show that they are consistent with those of well-studied model systems.