Temperature dependence of the generation and decay of E′ centers induced in silica by 4.7 eV laser radiation

We report a study of the generation of silicon dangling bonds (E′ centers) induced in fused silica by 4.7 eV laser irradiation in the 10 < T < 475 K temperature range, carried out by in situ optical absorption spectroscopy. The generation of the defects, occurring by transformation of pre-existing precursors, results to be a thermally activated process, quenched below 150 K and with a 0.044 eV activation energy. At T > 200 K the induced defects undergo a post-irradiation decay due to their reaction with mobile H₂. The interplay between generation and annealing gives rise to a bell-shaped temperature dependence of the concentration of induced E′ centers, peaking at 250 K.     

Morphology prediction of crystals grown in the presence of impurities and solvents — An evaluation of the state of the art

Computational methods enable to calculate relative face growth rates and crystal shape from structural information alone. Even if these models are sufficient for the calculation of the habit of a vapor grown crystal, most of them fail to correctly reproduce the habit of crystal growth from solution. In recent years, new approaches have been proposed based on the substitution of additive molecules in the crystal lattice or on the surface of the crystal. The new computer-based approaches provide a fundamental understanding of processes of crystal growth from solution. The number of methods proposed in morphology prediction is enormous. Herein, an overview of these methods and approaches is provided.     

Optical and dielectric properties of an isothiocyanato liquid crystal compound and comparison of its behavior with that of a homologous member

The properties of an isothiocyanato liquid crystal compound (code name S1) has been studied with a view to compare its behavior with that of another member of its homologous series (code name S5). Optical properties, such as refractive index, polarisability, and their anisotropies, have been evaluated with varying temperature and the orientational order experimentally determined from the study of polarisability anisotropy and compared with theoretically computed values. Dielectric studies have been conducted to determine not only the dielectric anisotropy but also the effective molecular dipole moment and its temperature dependence. The temperature variation of the angle of inclination (β) of molecular dipole moment with the director direction has also been determined and compared with that of S5. In order to determine the nature of molecular association in the mesophase, the molecular correlation factor (g) has been estimated from the measurements of dipole moments of compound in solution and compared with the values obtained for S5.     

Correlation between the method of preparation and the properties of the sol–gel HfO2 thin films

This work describes the preparation of HfO₂ thin films by the sol–gel method, starting with different precursors such as hafnium ethoxide, hafnium 2,4-pentadionate and hafnium chloride. From the solution prepared as mentioned above, thin films on silicon wafer substrates have been realized by ‘dip-coating’ with a pulling out speed of 5 cm min^?1. The films densification was achieved by thermal treatment for 10 min at 100 °C and 30 min at 450 °C or 600 °C, with a heating rate of 1 °C min^?1. The structural and optical properties of the films are determined employing spectroellipsometric (SE) measurements in the visible range (0.4–0.7 μm), transmission electron microscopy (TEM) and high-resolution transmission electron microscopy (HRTEM). The main objective of this paper was to establish a correlation between the method of preparation (precursor, annealing temperature) and the properties of the obtained films. The samples prepared from pentadionate and ethoxide precursors are homogenous and uniform in thickness. The samples prepared starting from chloride precursor are thicker and proved to be less uniform in thickness. Higher non-uniformity develops in multi-deposition films or in crystallized films. A nano-porosity is present in the quasi-amorphous films as well in the crystallized one. For the samples deposited on silicon wafer, the thermal treatment induced the formation of a SiO₂ layer at the coating–substrate interface.     

Influence of γ irradiation on the optical and mechanical properties of langasite

The optical (transmission and circular dichroism) spectra and mechanical (Vickers microhardness and fracture toughness K _1c ) properties of langasite La₃Ga₅SiO₁₄ crystals have been studied after γ irradiation and exposure for a month. It is shown that, as a result of irradiation crystals become more transparent in the range 310–640 nm, nonstructural defects with the energies of excited states in the range 2.06–4.13 eV decay and new structural defects with the excited-state energies in the range 4.14–5.00 eV are formed. Irradiation does not lead to a change in microhardness, while the coefficient K _1c increases from 0.32 to 0.36 MPa m^1/2.     

Effect of germanium on the microstructure and the magnetic properties of Fe–B–Si amorphous alloys

In this work, we present a systematic study on the crystallization kinetics and the magnetic properties of melt-spun Fe₈₀B₁₀Si_10 ? xGe_x (x = 0.0 ? 10.0) amorphous alloys. The activation energy for crystallization, determined by differential scanning calorimetry, displayed a strong dependence on the Ge content, reflecting a deleterious effect on the alloys' thermal stability and their glass forming ability with increasing Ge concentration. On the other hand, the alloys exhibited excellent soft magnetic properties, i.e., high saturation magnetization values (around 1.60 T), alongside Curie temperatures of up to 600 K. Complementary, for increasing Ge substitution, the ferromagnetic resonance spectra showed a microstructural evolution comprising at least two different magnetic phases corresponding to a majority amorphous matrix and to Fe(Si, Ge) nanocrystallites for x ≥ 7.5.     

Molecular and crystal structures of the products of crystallization of (N′-furfurylidene)isonicotinoylhydrazide from aqueous solutions of hydrochloric and acetic acids

Crystals of (N′-furfurylidene)isonicotinoylhydrazide (I), which have been isolated from a water-methanol solution of hydrochloric acid (Ia) and an aqueous solution (～50%) of acetic acid (Ib), are studied by X-ray diffraction. In Ia, the nitrogen atom of the pyridine ring is protonated. In the crystal, the intermolecular C=O?HN(Py) hydrogen bonds link the I · H⁺ cations into chains which are bound through centrosymmetric NH?W?Cl^??W′?H′N′ bridges. In molecule Ib, no protonation occurs; however, its pyridine N atom is blocked by the hydroxyl H atom of a solvate molecule of acetic acid. Crystals Ib have a layered structure. The crystallization water molecule is involved in the formation of three intermolecular hydrogen bonds, namely, those with the H atom of the amide group and the carbonyl O atoms of molecule I and an acetic acid molecule of the neighboring layer.     

Thermal decomposition of energetic materials. 44. Rapid thermal decomposition of the propyl-1,3-diammonium salts of NO 3 − and ClO 4 − , and the crystal structure of the ClO 4 − salt

The temperature dependence of the IR spectra of the condensed phase (dT/dt=5°C min^–1) and the fast thermolysis (dT/dt100°C sec^–1) of propyl-1,3-diammonium dinitrate (PDD) and diperchlorate (PDP) are compared. Rapid-scan FTIR/temperature profiling shows that PDP explodes on heating while PDD decomposes with much less energy. HNO₃(g) is formed by deneutralization in the initial decomposition of PDD, but HClO₄(g) is not detected from PDP. PDP is unique among the compounds studied by this technique in that a solid-solid phase transition can be detected during rapid heating. The initial phase of PDP has been characterized by X-ray crystallography: monoclinic,P2₁/c,a=7.316(2),b=14.428(2),c=9.742(2) Å,=96.81°,V=1021.1(3) ų,Z=4,D=1.789 g cm^–3,R(F)=0.034,R(wF)=0.040.     

Yttrium barium heptaoxocobaltate YBaCo4O7+δ: Refinement of the structure and determination of the composition

Parameters of the crystal structure of compound YBaCo₄O₇ are refined. The experimental data [3917 reflections measured, 469 unique I _hkl , and 420 observed reflections with I > 2σ(I)] are obtained on a Bruker X8APEX automated diffractometer equipped with a CCD detector [MoK _α, graphite monochromator, θ_max = 33.09°, space group P6₃ mc, a = 6.3058(4) Å, c = 10.2442(7) Å, V = 352.77 ų, Z = 2, d _calcd = 5.404 g/cm³, R ₁ = 0.0183 for 420 observed reflections and 0.0216 for all unique reflections]. The refinement shows that the occupancy factors of all sites of the space group correspond within three standard deviations to the standard values, that is, to the Y: Ba: Co: O = 1: 1: 4: 7 whole-number ratio of elements in the formula of the compound and to the absence of an aluminum impurity in the crystal.     

UV–visible and infrared absorption spectra of transition metals-doped lead phosphate glasses and the effect of gamma irradiation

Undoped and transition metals (TM 3d)-doped lead phosphate glasses were prepared. Ultraviolet–visible absorption spectra were measured in the range 200–1100 nm before and after successive gamma irradiation. Experimental results indicate that the undoped lead phosphate glass reveals before irradiation strong and broad ultraviolet absorption which is related to the co-sharing of absorption due to both trace iron impurities and lead ions (Pb²⁺). In the TM-doped glasses, characteristic absorption bands are obtained in both the UV and/or visible regions due to each respective TM ion in addition to that observed by the base undoped UV absorption. Gamma irradiation produces with the undoped glass a prominent induced ultraviolet broad band centered at about 300 nm originating mostly from the contribution of trace iron impurities and the visible spectra reveal markedly high shielding behavior towards successive gamma irradiation, due to the presence of both high content of heavy Pb²⁺ ions and the sharing of phosphate as a partner. With TM-doped samples, the observed induced bands are virtually varying and related to the type of the sharing TM ions. Infrared absorption spectra reveal in the undoped and TM-doped glasses characteristic structural phosphate groups mainly consisting of metaphosphate and pyrophosphate units. Transition metals are assumed to cause depolymerization of the phosphate glass network with different ratios but the changes in IR spectral data are limited due to the low doping level. Gamma irradiation of the samples is assumed to cause changes in the bond angles or bond lengths of the structural phosphate units within network as evident in the variation of the intensities of the IR bands.     

Effect of the Ile222Thr Missense Mutation in SsoIF2γ on the Affinity of γ and β Subunits of aIF2

Crystallography Reports - Translation initiation factors 2 from eukaryotes (eIF2) and archaea (аIF2) mediate the delivery of charged initiator tRNA (Met-tRNAiMet) to the small ribosomal...     

The effects of annealing and rate of deposition on the electrical,optical and structural properties of amorphous GeSi alloy films

The electrical, optical and structural properties of rf-sputtered amorphous GeSi alloy films have been investigated as functions of the rate of deposition between 90 and 360 Å min^?1, and various annealing conditions. The stabilization evidenced in the electrical conductivity, optical absorption and density of these films deposited at higher rates and/or annealing temperatures may be explained in terms of the reduction of imperfections in the as-deposited films.     

Production and Study of Silver Nanoparticles by 532 nm Laser Pulse Ablation in NaCl Solution

In this experimental research, silver nanoparticles are produced in NaCl solution by the laser ablation method. Our aim was to investigate the effect of the amount of NaCl in the ablation medium on the characteristics of nanoparticles. A 7 ns pulsed Neodymium YAG laser (Nd:YAG) at 5 J/cm2 fluence and 532 nm wavelength was employed to produce Ag nanoparticles in distilled water with four different concentrations of NaCl. The optical properties, size distribution, and agglomeration of nanoparticles were investigated by several diagnostics. The UV–Visible absorption spectra of the Ag nanoparticles exhibit absorptions in the UV region because of surface plasmon resonance. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) were used to study the size distribution and morphology of nanoparticles. Dynamic light scattering (DLS) was employed to measure the hydrodynamic size of nanoparticles in suspensions. With X-ray diffraction (XRD) pattern, the lattice structure of nanoparticles was studied. Fourier transform infrared (FTIR), photoluminescence (PL) spectra were obtained to observe the molecular structure and atomic energy levels of particles.     

Structure and conformation of the monohydrate of N-t-boctyrosyl-proline (Boc-Tyr-Pro·H2O)

The structure and conformation of the monohydrate of N-t-boc-tyrosyl-proline (Boc-Tyr-Pro·H₂O) (C₁₉H₂₆O₆N₂·H₂O) has been investigated with X-ray crystallographic and spectroscopic methods. Boc-Tyr-Pro crystallized in an extendedtrans conformation in the space group P2₁2₁2₁ with cell dimensionsa=8.566(1),b=9.996(1),c=24.734(1). The conformation of Boc-Tyr-Pro reflex -helix type prolines. Three intermolecular hydrogen bonds are observed. Crystal water is involved in two hydrogen bonds (to the hydroxyl group of the C-terminal of the proline residue; to the carbonyl group of the t-Boc functionality) while the hydroxyl group of the tyrosyl residue (to the carbonyl group of the amide bond) is involved in one hydrogen bond. The puckering mode of the pyrrolidine ring of the proline residue is similar to what has been previously observed for other proline-containing peptides.Cis-trans isomerism is observed in the NMR spectra of Boc-Tyr-Pro with a predominance for the extended side chain for the tyrosyl residue.     

Properties of Some Polarized Chromophores in Polyvinylpyrrolidone

Poor miscibility of highly polarized chromophores to polymer matrices is a crucial issue for EO polymer development. By using poly(N-vinylpyrrolidone) (PVP) as a matrix polymer, we were able to prepare the uniform film containing ammonium-borate type zwitterions or Disperse Red 1 (DR1). For zwitterions, corona poling was unsuccessful probably because of hygroscopic property of PVP and/or strong intermolecular interaction to form the antiparallel dimers. For DR1, we found apparent color change originated from the H-aggregate formation assisted by moisture, which is usable to detect humidity. On the other hand, a passivation layer is necessary to use PVP for the EO applications.     

Glass formation and properties of chalcogenide systems (XXII) the phase diagram of the system PbSe?GeSe2 and on the compound Pb2GeSe4

The phase diagram of the system PbSe GeSe₂ is studied by X-ray analysis and DTA. Pb₂GeSe₄ is the only compound which is formed in the system. It melts incongruently at 590 ± 4°C. The formation of Pb₂GeSe₄ as a definite compound is supported by studying the phase relations in the corresponding area of the ternary system PbSe GeSe GeSe₂.     

Structure and spectroscopic properties of the 1∶2 complex of 3,5-dimethylpyridine with 3,5-dinitrobenzoic acid and its deuterated analog

The structure of the nondeuterated and deuterated complexes of 3,5-dimethylpyridine with 3,5-dinitrobenzoic acid in a stoichiometric ratio 12 have been determined by X-ray diffraction methods. The crystals of the nondeuterated complex are triclinic, space groupP¯1 witha=9.409(9),b=10.813(7),c=12.310(7)Å,a=95.75(5),=108.17(7), =91.46(7)° andZ=2. The crystals of the deuterated complex are monoclinic, space groupP2₁/c, witha=11.680(6),b=8.451(4),c=24.382(9)Å,=102.94(4)° andZ=4. Both structures have been solved by direct methods and refined toR=0.035 for 2235 and toR=0.044 for 1938 independent reflections for nondeuterated and deuterated crystal, respectively. The structures consist of 3,5-dimethylpyridinium cations and hydrogen (or deuterium) bis(3,5-dinitrobenzoate) anions. The N(1)⁺-H(N1)O(1)^–, O(7)-H(7)O(2), N(1)⁺-D(1)O(l)^– and O(7)-D(7)O(2) bond lengths are 2.644(4), 2.499(3), 2.739(5), and 2.526(5)Å, respectively. The IR spectra of both complexes within the proton (or deuteron) absorption range have been studied.