Quantum Dynamics of H_{2} Trapped within Organic Clathrate Cages.

The rotational and translational dynamics of molecular hydrogen trapped within β-hydroquinone clathrate (H_{2}@β-HQ)-a practical example of a quantum particle trapped within an anisotropic confining potential-were investigated using inelastic neutron scattering and Raman spectroscopy. High-resolution vibrational spectra, including those collected from the VISION spectrometer at Oak Ridge National Laboratory, indicate relatively strong attractive interaction between guest and host with a strikingly large splitting of rotational energy levels compared with similar guest-host systems. Unlike related molecular systems in which confined H_{2} exhibits nearly free rotation, the behavior of H_{2}@β-HQ is explained using a two-dimensional (2D) hindered rotor model with barrier height more than 2 times the rotational constant (-16.

Optical cell for in situ vibrational spectroscopic measurements at high pressures and shear.

An optical cell is described for performing simultaneous static high-pressure and shear experiments. This cell design is a modification of the previously designed megabar diamond anvil cell used by Mao and Bell that allows for controlled, remote shear. With this diamond anvil cell, it is possible to use a wide range of existing experimental techniques and pressure media.

High-pressure vibrational spectroscopy of energetic materials: hexahydro-1,3,5-trinitro-1,3,5-triazine.

Vibrational spectroscopy has been used to investigate the room-temperature high-pressure phases of the energetic material hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). The pressure-induced alterations in the spectral profiles were studied in a compression sequence to 30.2 GPa using Raman spectroscopy and to 26.