Experimental and Theoretical Vibrational Spectroscopy for Structure and Dynamics of Crystalline Ices

Abstract

  In the past two decades, we have witnessed major advances in vibrational spectroscopy through a powerful combination of experiment and theory. For example, ultrafast nonlinear spectroscopy now allows us to experimentally observe the time evolution of molecular structures with femtosecond time resolution. Theoretical calculations, on the other hand, provide firm support for such experimental results and more detailed microscopic insights into molecular dynamics. In this review, we introduce our recent study on advanced vibrational spectroscopy applied to water ice and clathrate hydrate crystals. The consistency of the experimental and theoretical results provides new structural insights into these crystalline systems.