RESUMEN
A combination of inelastic neutron scattering (INS) spectroscopy and Raman spectroscopy with periodic density functional theory calculations is used to provide a complete assignment of the vibrational spectra of α-lithium amidoborane (α-LiNH(2)BH(3)). The Born charge density and the atomic motion up to the decomposition temperature have been modelled. These models not only explain the nature of bonding in α-LiNH(2)BH(3) but also provide an insight into the atomic mechanisms of its decomposition. The (INS) measurements were performed in the range of 0-4000 cm(-1) on the high-resolution time-of-flight TOSCA INS spectrometer at the ISIS Spallation Neutron Source at the Rutherford Appleton Laboratory.
RESUMEN
Potassium(I) amidotrihydroborate (KNH(2)BH(3)) is a newly developed potential hydrogen storage material representing a completely different structural motif within the alkali metal amidotrihydroborate group. Evolution of 6.5 wt % hydrogen starting at temperatures as low as 80 degrees C is observed and shows a significant change in the hydrogen release profile, as compared to the corresponding lithium and sodium compounds. Here we describe the synthesis, structure, and hydrogen release characteristics of KNH(2)BH(3).
Asunto(s)
Boranos/química , Hidrógeno/química , Boranos/síntesis química , Cristalografía por Rayos X , Modelos Moleculares , Estructura MolecularRESUMEN
A stepwise phase transition in the formation of lithium amidoborane via the solid-state reaction of lithium hydride and ammonia borane has been identified and investigated. Structural analyses reveal that a lithium amidoborane-ammonia borane complex (LiNH(2)BH(3).NH(3)BH(3)) and two allotropes of lithium amidoborane (denoted as alpha- and beta-LiNH(2)BH(3), both of which adopt orthorhombic symmetry) were formed in the process of synthesis. LiNH(2)BH(3).NH(3)BH(3) is the intermediate of the synthesis and adopts a monoclinic structure that features layered LiNH(2)BH(3) and NH(3)BH(3) molecules and contains both ionic and dihydrogen bonds. Unlike alpha-LiNH(2)BH(3), the units of the beta phase have two distinct Li(+) and [NH(2)BH(3)](-) environments. beta-LiNH(2)BH(3) can only be observed in energetic ball milling and transforms to alpha-LiNH(2)BH(3) upon extended milling. Both allotropes of LiNH(2)BH(3) exhibit similar thermal decomposition behavior, with 10.8 wt % H(2) released when heated to 180 degrees C; in contrast, LiNH(2)BH(3).NH(3)BH(3) releases approximately 14.3 wt % H(2) under the same conditions.
Asunto(s)
Amoníaco/química , Boranos/química , Litio/química , Compuestos Organometálicos/síntesis química , Compuestos Organometálicos/química , Transición de FaseRESUMEN
Site-selective assembly of 5 microm amine-functionalized glass spheres from aqueous suspensions onto gold surfaces patterned with carboxylic acid and methyl-terminated thiols has been achieved through the introduction of a variable tilt flow cell. In situ microscope imaging has been employed to study the four phases of assembly independently, and the relative roles of electrostatic attraction and capillary emersion have been explored. In contradiction to the commonly recognized electrostatic assembly model, detailed theoretical analysis and experimental evidence are presented to support a mechanism where patterning occurs at the point of meniscus contact. Control of pattern quality is demonstrated through the comparison of results obtained from a variety of experiments, and the best conditions for the assembly of monolayer features are identified. Finally, evidence for the extension of this assembly method to the production of singlet sphere arrays is discussed.