Probing How Dynamics, Disorder and Temperature Influence the Vibrational Spectra of Molecular Crystals.

It has long been known that THz spectra of molecular crystals is very sensitive to the long-range structure of these materials. Here using a combination of measurement and calculations based on Density Functional Theory we explore how spectra of these materials are influenced by temperature, molecular dynamics and disorder within the crystalline environment, and in many cases, how these effects are crucial to spectral interpretation.