Theoretical studies of lithium bonding in lithium chloride/aliphatic amine complexes

In the systematic study of amine … LiCl [amines = NH3, CH3NH2, (CH3)2NH] complexes the possibility of an ion-pair structure and the effect of methylation on the stabilization energy is investigated. ΔEis evaluated by the SCF/4-31G method and augmented by the approximate dispersion energy calculated perturbationally. The interaction energy decreases with the increasing number of methyl groups in the amine. The dispersion energy plays a negligible role in the stabilization of complexes. None of the systems studied are ion pairs; their Li bonds are of a so-called molecular type. Due to the divergence of the multipole expansion, the attempt to correct the 4-31G stabilization energies via the electrostatic energy fails. The relative order of the ΔE in the series of complexes is verified instead in the extended basis set calculation. The lithium bonds are compared with their H-bonded analogues.

MAS NMR as a probe for investigating the distribution of Si---O---Si angles in lithium silicate glasses

Magic-angle-spinning NMR has been used to study Si---O---Si bond-angle distributions associated with various structural elements, Qn, present in lithium silicate glasses of different compositions. It is shown that glasses contain a plurality of structural elements with a broad distribution of Si---O---Si bond angles, and that the width of the distribution is characteristic of a particular Qn species

Conformations of lasalocid A-lithium complexes in acetonitrile

The interaction of the ionophore antibiotic lasalocid-A with lithium perchlorate in acetonitrile has been studied by circular dichroism (c.d.) and 1H, 13C and 7Li nuclear magnetic resonance (n.m.r.) techniques. Analysis of the c.d. data has shown that both the 2:1 sandwich (ionophore-cation-ionosphore) complex and 1:1 complex coexist in solution. The n.m.r. data are consistent with a conformational model in which the carbonyl oxygen, he tetrahydrofuran and the tetrahydropyran ring oxygen atoms, two hydroxyl group oxygens and either a water or a solvent molecule coordinate to the lithium ion.

Influence of Sm2O3 doping on formation and structure of SrBi2Nb2O9 nanocrystals in lithium borate glasses

New glasses of 16.66SrO–16.66[(1 − x)Bi2O3–xSm2O3]–16.66Nb2O5–50Li2B4O7 (0 ≤ x ≤ 0.5, in molar ratio), i.e., the pseudo-binary Sm2O3-doped SrBi2Nb2O9–Li2B4O7 glass system, giving the crystallization of Sm3+-doped SrBi2Nb2O9 nanocrystals are developed. It is found that the thermal stability of the glasses against the crystallization and the optical band gap energy increases with increasing Sm2O3 content. The formation of fluorite-type Sm3+-doped SrBi2Nb2O9 nanocrystals (diameters: 13–37 nm) with a cubic structure is confirmed in the crystallized (530 °C, 3 h) samples from X-ray powder diffraction analyses, Raman scattering spectrum measurements, and transmission electron microscope observations. The effect of Sm3+-doping on the microstructure, Raman scattering peak positions, and dielectric properties of composites comprising of fluorite-type SrBi2Nb2O9 nanocrystals and the Li2B4O7 glassy phase is clarified. It is found that fluorite-type SrBi2Nb2O9 nanocrystals transform to stable perovskite-type SrBi2Nb2O9 crystals with an orthorhombic structure by heat treatments at around 630 °C.

Proton magnetic resonance study of piezoelectric lithium formate monohydrate

Abstract is not available.

A proton magnetic resonance study of lithium acetate dihydrate, Li(CH3COO).2H20

Abstract is not available.

Lithium nuclear-magnetic-resonance in lithium acetate dihydrate, Li(CH3COO).2H2O

Li n.m.r, in single crystals of lithium acetate dihydrate is used to determine the quadrupole coupling parameters: (e2qQ/h) and r/. The orientations of the principal z, y and x components of the electric field gradient tensor are determined to be along the crystallographic b, a and c axes respectively. The parameters experimentally determined are (e2qQ/h)= 154"6 kHz; and i/= 0.9. This study indicates a tetrahedral configuration around the Li ion, confirming the recent X-ray and p.m.r, results.

Influence of Lithium Fluoride on the Burning Rate of AP-Polyester Propellant

THE addition of catalysts normally serves the purpose of imparting a desired burning rate change in a composite propellant. These may either retard or enhance the burning rate. Some often quoted catalysts are oxides, chromites and chromates of metals. A lot of work has been done on rinding the effect of the addition of some of these catalysts on the burning rate; however, none seems to have appeared on the influence of lithium fluoride (LiF). Only qualitative reduction in the burning rate of composite propellants with the addition of LiF was reported by Williams et al.1 Dickinson and Jackson2 reported a slight decrease in the specific impulse of composite propellant with the addition of LiF; however, they made no mention of the effect of its addition on the burning rate. We have studied the effect of the addition of varying amounts of LiF on the burning rate of Ammonium Perchlorate (AP)-Polyester propellant.

Ferroelectricity in lithium potassium sulphate

. Measurement of the relation between polarisation P and electric field E for lithium potassium sulphate (LiKSO4) was made in the low temperature range below room temperature. The P-E hysteresis loops along the c axis of LiKSO4 were observed in the low-temperature phase below the lower transition point Ttl of about -70 degrees C, and in the intermediate phase below the upper transition point Ttu of about -25 degrees C. These phases were found to be ferroelectric. The temperature dependence of the spontaneous polarisation Ps and the electric coercive field Ec were obtained.

Physicochemical, Electrochemical, and Spectroscopic Characterization of Zinc-Based Room-Temperature Molten Electrolytes and Their Application in Rechargeable Batteries

Room-temperature zinc ion-conducting molten electrolytes based on acetamide, urea, and zinc perchlorate or zinc triflate have been prepared and characterized by various physicochemical, spectroscopic, and electrochemical techniques. The ternary molten electrolytes are easy to prepare and can be handled under ambient conditions. They show excellent stability, high ionic conductivity, relatively low viscosity, and other favorable physicochemical and electrochemical properties that make them good electrolytes for rechargeable zinc batteries. Specific conductivities of 3.4 and 0.5 mS cm(-1) at 25 degrees C are obtained for zinc-perchlorate-and zinc-triflate-containing melts, respectively. Vibrational spectroscopic data reveal that the free ion concentration is high in the optimized composition. Rechargeable Zn batteries have been assembled using the molten electrolytes, with gamma-MnO2 as the positive electrode and Zn as the negative electrode. They show excellent electrochemical characteristics with high discharge capacities. This study opens up the possibility of using acetamide-based molten electrolytes as alternate electrolytes in rechargeable zinc batteries. (C) 2009 The Electrochemical Society.

The role of lithium and magnesium perchlorate ammines in ammonium perchlorate decomposition

The preparation and thermal decomposition of lithium and magnesium perchlorate ammines have been investigated. The catalytic effect of these ammines on AP decomposition has been studied. The catalytic effect of lithium and magnesium salts on AP decomposition has been attributed to the formation of the metal perchlorate ammine intermediate. In the case of a magnesium salt: AP mixture, the melting of the magnesium perchlorate monoammine intermediate seems to play an important role in catalysing the decomposition.

High lithium storage in micrometre sized mesoporous spherical self-assembly of anatase titania nanospheres and carbon

Composite of anatase titania (TiO2) nanospheres and carbon grown and self-assembled into micron-sized mesoporous spheres via a solvothermal synthesis route are discussed here in the context of rechargeable lithium-ion battery. The morphology and carbon content and hence the electrochemical performance are observed to be significantly influenced by the synthesis parameters. Synthesis conditions resulting in a mesoporous arrangement of an optimized amount carbon and TiO2 exhibited the best lithium battery performance. The first discharge cycle capacity of carbon-titania mesoporous spheres (solvothermal reaction at 150 degrees C at 6 h, calcination at 500 degrees C under air, BET surface area 80 m(2)g(-1)) was 334 mAhg(-1) (approximately 1 Li) at current rate of 0.066 Ag-1. High storage capacity and good cyclability is attributed to the nanostructuring of TiO2 (mesoporosity) as well as due to formation of a percolation network of carbon around the TiO2 nanoparticles. The micron-sized mesoporous spheres of carbon-titania composite nanoparticles also show good rate cyclability in the range (0.066-6.67) Ag-1.

Comparative study of lead-acid batteries for photovoltaic stand-alone lighting systems

The lead-acid battery is often the weakest link in photovoltaic (PV) installations. Accordingly, various versions of lead-acid batteries, namely flooded, gelled, absorbent glass-mat and hybrid, have been assembled and performance tested for a PV stand-alone lighting system. The study suggests the hybrid VRLA batteries, which exhibit both the high power density of absorbent glass-mat design and the improved thermal properties of the gel design, to be appropriate for such an application. Among the VRLA-type batteries studied here water loss for the hybrid VRLA batteries is minimal and charge-acceptance during the service at high temperatures is better in relation to their AGM counterparts.

Elastic properties of fast ion conducting lithium based borate glasses

Elastic properties of Li2O-PbO-B2O3 glasses have been investigated using sound velocity measurements at 10 MHz. Four series of glasses have been investigated with different concentrations of Li2O, PbO and B2O3. The variations of molar volume have been examined for the influences of Li2O and PbO. The elastic moduli reveal trends in their compositional dependence. The bulk and shear modulus increases monotonically with increase in the concentration of tetrahedral boron which increases network dimensionality. The variation of bulk moduli has also been correlated to the variation in energy densities. The Poisson's ratio found to be insensitive to the concentration of tetrahedral boron in the structure. The experimental Debye temperatures are in good agreement with the expected theoretical values. Experimental observations have been examined in view, the presence of borate network and the possibility of non-negligible participation of lead in network formation. (c) 2005 Elsevier B.V. All rights reserved.

Infrared spectrum of ferroelectric lithium hydrazinium sulphate [Li (N2H5) SO4]

Dielectric observations on lithium hydrazinium sulphate have shown earlier that it is ferroelectric over a range of temperatures from below −15° C. to above 80° C. and a new type of hydrogen bond rearrangement which would allow the protons to migrate along the chain has also been suggested by others. The infrared spectrum of LiH z S in the form of mull and as single crystal sections parallel and perpendicular to the ‘C’ axis exhibit about 21 well-defined absorption maxima. The position and the width of the maxima agree with the known structure of the crystal according to which the hydrazine group exists in the form of the hydrazinium ion, NH2·NH3+ and the observed N+-H frequencies agree better with the new correlation curve given by R. S. Krishnan and K. Krishnan (1964). However it has been pointed out that from a comparative study of the new infrared spectra of hydrazonium sulphate and lithium ammonium sulphate that the absorption band at 969 cm.−1 is due to N-N stretching vibration and that the fairly intense band between 2050–2170 cm.−1 is due to the bending vibrations of the NH3+ group.