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The structure of the primary amino acid L-leucine has been determined for the first time by neutron diffraction. This was made possible by the use of modern neutron Laue diffraction to overcome the previously prohibitive effects of crystal size and quality. The packing of the structure into hydrophobic and hydrophilic layers is explained by the intermolecular interaction energies calculated using the PIXEL method. Variable-temperature data collections confirmed the absence of phase transitions between 120 and 300 K in the single-crystal form.

Molecular hydrogen forms the archetypical quantum solid. Its quantum nature is revealed by behavior which is classically impossible and by very strong isotope effects. Isotope effects between H2, D2, and HD molecules come from mass difference and the different quantum exchange effects: fermionic H2 molecules have antisymmetric wavefunctions, while bosonic D2 molecules have symmetric wavefunctions, and HD molecules have no exchange symmetry. To investigate how the phase diagram depends on quantum-nuclear effects, we use high-pressure and low-temperature in situ Raman spectroscopy to map out the phase diagrams of H2-HD-D2 with various isotope concentrations over a wide pressure-temperature (P-T) range. We find that mixtures of H2, HD, and D2 behave as an isotopic molecular alloy (ideal solution) and exhibit symmetry-breaking phase transitions between phases I and II and phase III. Surprisingly, all transitions occur at higher pressures for the alloys than either pure H2 or D2. This runs counter to any quantum effects based on isotope mass but can be explained by quantum trapping of high-kinetic energy states by the exchange interaction. [ABSTRACT FROM AUTHOR]

In situ high-pressure high-temperature X-ray powder diffraction studies of the cobalt-hydrogen system reveal the direct synthesis of both the binary cobalt hydride (CoH) and a novel cobalt dihydride (CoH2). We observe the formation of fcc CoH at pressures of 4 GPa, which persists to pressures of 45 GPa. At this pressure, we see the emergence with time of a further expanded fcc lattice, which we identify as CoH2, where the hydrogen atoms occupy the tetrahedral vacancies. We have explored alternative synthesis routes of CoH2 and can lower the synthesis pressure to 35 GPa by the application of high temperature. CoH2 is stable to at least 55 GPa and decomposes into CoH below 10 GPa, releasing molecular hydrogen before further decomposing completely into its constituent elements below 3 GPa. As a first-row transition metal, cobalt has a relatively lower mass than other hydride-forming transition metals, and as a result, CoH2 has a high hydrogen content of 3.3 wt. % and a volumetric hydrogen density of 214 g/l. [ABSTRACT FROM AUTHOR]

We have used synchrotron x-ray and Raman spectroscopic studies combined with molecular dynamics to investigate the I2 - H2 system at high pressure. By laser heating the mixture above 25 GPa we synthesized the molecular compound HI ( H2 )13 , with the A B 13 structure type and unusually high volumetric hydrogen content. The isolation of HI molecules by ( H2 )13 supramolecular clusters stabilizes the compound over a remarkable pressure range from 9 to at least 130 GPa. At lower pressures and 300 K another compound, hydrogen diiodane H2 ( HI)2 , spontaneously forms, being stable up to 12.5 GPa. [ABSTRACT FROM AUTHOR]

Through high-pressure Raman spectroscopy and x-ray diffraction experiments, we have investigated the formation, stability field, and structure of hydrogen iodide (HI). Hydrogen iodide is synthesized by the reaction of molecular hydrogen and iodine at room temperature and at a pressure of 0.2 GPa. Upon compression, HI solidifies into cubic phase I, and we present evidence for the emergence of a phase I' above 3.8 GPa. Across the wide temperature regime presented here, HI is unstable under compression (11 GPa at 300 K, 18 GPa at 77 K), decomposing into its constituent elements, after which no further reaction between hydrogen and iodine was observed up to pressures of 60 GPa. This study provides both the constraints on the phase diagram of HI and its kinetic stability. [ABSTRACT FROM AUTHOR]