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 gasphase 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 interpretatio