Structure and dynamics in liquid water from X-ray absorption spectroscopy

Abstract

Oxygen K-edge X-ray absorption spectra of water are discussed. The spectra of gas-phase water, liquid water and ice illustrate the sensitivity of oxygen K-edge X-ray absorption spectroscopy to hydrogen bonding in water. Transmission mode spectra of amorphous and crystalline ice are compared to X-ray Raman spectra of ice. The good agreement consolidates the experimental spectrum of crystalline ice and represents an incentive for theoretical calculations of the oxygen K-edge absorption spectrum of crystalline ice. Time-resolved infrared-pump and X-ray absorption probe results are finally discussed in the light of this structural interpretation. © 2009 IOP Publishing Ltd.