Crystal structure of the charge-transfer complex promethazine picrate

Promethazine picrate (C23H23N5O7S) crystallises in the triclinic space group P[unk] with a = 8.137(1), b = 8.144(3), c = 19.224(6) Å, α = 87.78(3), β = 79.97(2), γ = 70.57(2)° and two molecules per unit cell. The structure was solved by direct methods (MULTAN 80) using 2438 observed reflections [I > 2.5 σ(I)]. Refinement was carried out by block-diagonal least-squares methods to a final R = 0.052. The picrate group is planar and is almost perpendicular to the promethazine plane. The two groups are joined by a hydrogen bond. The pairs of molecules related by a centre of symmetry make a molecular arrangement where promethazine and picrate groups are packed in sheets in three dimensions.

Dielectric properties of electron irradiated PbZrO3 thin films

The present paper deals with the study of the effects of electron (8 MeV) irradiation on the dielectric and ferroelectric properties of PbZrO3 thin films grown by sol-gel technique. The films were (0.62 mu m thick) subjected to electron irradiation using Microtron accelerator (delivered dose 80, 100, 120 kGy). The films were well crystallized prior to and after electron irradiation. However, local amorphization was observed after irradiation. There is an appreciable change in the dielectric constant after irradiation with different delivered doses. The dielectric loss showed significant frequency dispersion for both unirradiated and electron irradiated films. T (c) was found to shift towards higher temperature with increasing delivered dose. The effect of radiation induced increase of E >'(T) is related to an internal bias field, which is caused by radiation induced charges trapped at grain boundaries. The double butterfly loop is retained even after electron irradiation to the different delivered doses. The broader hysteresis loop seems to be related to radiation induced charges causing an enhanced space charge polarization. Radiation-induced oxygen vacancies do not change the general shape of the AFE hysteresis loop but they increase P (s) of the hysteresis at the electric field forced AFE to FE phase transition. We attribute the changes in the dielectric properties to the structural defects such as oxygen vacancies and radiation induced charges. The shift in T (C), increase in dielectric constant, broader hysteresis loop, and increase in P (r) can be related to radiation induced charges causing space charge polarization. Double butterfly and hysteresis loops were retained indicative of AFE nature of the films.

Negative differential resistance in Gd0.5Sr0.5MnO3: A consequence of Joule heating

Negative differential resistance (NDR) in current-voltage (I-V) characteristics and apparent colossal electroresistance were observed in Gd0.5Sr0.5MnO3 single crystals at low temperatures. The continuous dc I-V measurements showed a marked thermal drift. In addition, temperature of the sample surface was found to be significantly higher than that of the base at high applied currents. Two different strategies namely estimation and diminution of the Joule heating (pulsed I-V measurements) were employed to investigate its role in the electric transport properties. Our experiments reveal that the NDR in Gd0.5Sr0.5MnO3 is a consequence of Joule heating rather than the melting of charge order. (C) 2010 American Institute of Physics. doi:10.1063/1.3486221]

Electric and magnetic polarizabilities of hexagonal Ln(2)CuTiO(6)(Ln = Y, Dy, Ho, Er, and Yb)

We investigated the rare-earth transition-metal oxide series, Ln(2)CuTiO(6) (Ln = Y, Dy, Ho, Er, and Yb), crystallizing in the hexagonal structure with noncentrosymmetric P6(3)cm space group for possible occurrences of multiferroic properties. Our results show that while these compounds, except Ln = Y, exhibit a low-temperature antiferromagnetic transition due to the ordering of the rare-earth moments, the expected ferroelectric transition is frustrated by the large size difference between Cu and Ti at the B site. Interestingly, this leads these compounds to attain a rare and unique combination of desirable paraelectric properties with high dielectric constants, low losses, and weak temperature and frequency dependencies. First-principles calculations establish these exceptional properties result from a combination of two effects. A significant difference in the MO5 polyhedral sizes for M = Cu and M = Ti suppress the expected cooperative tilt pattern of these polyhedra, required for the ferroelectric transition, leading to relatively large values of the dielectric constant for every compound investigated in this series. Additionally, it is shown that the majority contribution to the dielectric constant arises from intermediate-frequency polar vibrational modes, making it relatively stable against any temperature variation. Changes in the temperature stability of the dielectric constant among different members of this series are shown to arise from changes in relative contributions from soft polar modes.

Dominant role of the Cu---O charge-transfer energy, electronic polarizability and associated factors in the superconductivity of cuprates

Although it is believed that there is strong hybridization between the Cu(3d) and O(2p) orbitals in the layered cuprates and that the parent compounds such as La2CuO4 are charge-transfer gap insulators, very few models consider the Cu---O charge-transfer energy, Δ, or the hybridization strength, tpd, to be the important factors responsible for the superconductivity of these materials. Based on the crucial experimental observation that the relative intensity of the features in Cu(2p) photoemission of several families of cuprates varies systematically with the hole concentration, nh, we have been able to show that both these properties vary smoothly with Δ /tpd. More importantly, we show that the electronic polarizability of the CuO2 sheets, α , is sufficiently large to favour hole pairing and that the value α also depends on Δ/tpd. Both nh and α increase smoothly with decreasing Δ /tpd. Considering that the maximum Tc in the various cuprate families containing the same number of CuO2 sheets occurs around the same nh value (e.g., nh≈ 0.2 in cuprates with two CuO2 sheets). The present study demonstrates how Δ /tpd, α and such chemical bonding characteristics have an important bearing on the superconducting properties of the cuprates.

Electrical switching in benzidine-DDQ under pressure

The effect of pressure on non-ohmic conduction and electrical switching in the charge transfer complex benzidine-DDQ has been studied up to a pressure of 7·66 GPa at a temperature of 300K. Pulsed I-V measurements reveal heating contribution to non-ohmicity and switching. At high electric fields (∼ 3 × 103 V/cm), the sample switches from high resistance OFF state of several kiloohms to low resistance ON state of several ohms. Temperature dependence of conductivity of ON state show semiconducting behaviour with very low activation energy.

Electric Field Modelling of Composite High Voltage Insulators

This paper deals with the two-dimensional electric field modelling and electric field stress calculations of different types of composite insulators used in high voltage distribution and transmission systems. The computer simulations are carried out by using a commercially available software package. The potential and electric filed results obtained for the actual insulator profiles for three types of composite/polymeric insulators are discussed and presented.

Complex Permittivity Characteristics of Epoxy Nanocomposites at Low Frequencies

The complex permittivity characteristics of epoxy nanocomposite systems were examined and an attempt has been made to understand the underlying physics governing some of the unique macroscopic dielectric behaviors. The experimental investigations were performed using two different nanocomposite systems with low filler concentrations over the frequency range of 10(-2)-400 Hz, but for some cases, the data has been reported upto 10(6) Hz for a better understanding of the behaviors. Results demonstrate that nanocomposites do possess unique permittivity behaviors as compared to those already known for unfilled polymer and microcomposite systems. The nanocomposite real permittivity and tan delta values are found to be lower than that of unfilled epoxy. In addition, results show that interfacial polarization and charge carrier mobilities are suppressed in epoxy nanocomposite systems. The complex permittivity spectra coupled with the ac conductivity characteristics with respect to frequency was found to be sufficient to identify several of the nanocomposite characteristics like the reduction in permittivity values, reduction in the interfacial polarization mechanisms and the electrical conduction behaviors. Analysis of the results are also performed using electric modulus formalisms and it has been seen that the nanocomposite dielectric behaviors at low frequencies can also be explained clearly using this formalism.

Open-circuit potential—time transients of alkaline porous iron electrodes at various states-of-charge

Open-circuit potential—time transients during the discharge of alkaline porous iron electrodes at various states-of-charge have been studied. From this, it has been possible to arrive at a correlation between the parameters of self-discharge kinetics of the electrode and observed open-circuit potential—recovery time constants. The study provides a method of estimate the state-of-charge of the rechargeable iron electrodes. As a hydrogen evolution reaction inevitably occurs on alkaline iron electrodes, the kinetics of the reaction have also been investigated.

Relation between effective atomic charge and chemical shifts in X-ray absorption spectra of transition-metal compounds

Chemical shifts of K absorption discontinuities, Delta E, of several manganese, iron and cobalt oxides with the metal in the formal oxidation states between +2 and +4, have been measured. These data, together with data in the literature on other compounds of these metals, can be fitted into the expression Delta E=aq+bq2, where q is the effective atomic charge on the metal. Theoretical considerations also support this functional relationship between Delta E and q.

The influence of chemical additives on surface charge and hardness of hematite

The zeta potential of high-purity hematite at pH 6 and in a 10−3N NaCl solution has been determined at different concentrations of acetone using the streaming potential technique and the results correlated with the microhardness of the mineral. The zeta potential has been found to decrease as the hardness increases reaching a minimum at 10 cc per litre concentration of acetone when the hardness reaches a maximum. The results have been explained on the basis of competitive adsorption of chloride ions and acetone molecules at low concentrations of acetone and coadsorption of both species above 10 cc per litre concentration. Acetone in distilled water and 10−3N NaCl in distilled water decrease the microhardness of hematite individually between pH 5 to 7 and in combination increase the microhardness reaching a maximum at pH 6.

Impedance parameters and the state-of-charge. III. Zinc-manganese dioxide and magnesium-manganese dioxide dry batteries

The problem of non-destructive determination of the state-of-charge of zinc- and magnesium-manganese dioxide dry batteries is examined experimentally from the viewpoint of internal impedance and open-circuit voltage at equilibrium. It is shown that the impedance is mainly charge-transfer controlled at relatively high states-of-charge and progressively changes over to diffusion control as the state-of-charge decreases in the case of zinc-manganese dioxide dry batteries. On the other hand, the impedance is mainly diffusion controlled for undischarged batteries but becomes charge-transfer controlled as soon as there is some discharge in the case of magnesium-manganese dioxide batteries. It is concluded that the determination of state-of-charge is not possible for both types of batteries by the measurement of impedance parameters due to film-induced fluctuations of these parameters. The measurement of open-circuit voltage at equilibrium can be used as a state-of-charge indicator for Zn-MnO2 batteries but not for Mg-MnO2 batteries.

Impedance parameters and the state-of-charge. II. Lead-acid battery

The determination of the state-of-charge of the lead-acid battery has been examined from the viewpoint of internal impedance. It is shown that the impedance is controlled by charge transfer and to a smaller extent by diffusion processes in the frequency range 15–100 Hz. The equivalent series/parallel capacitance as well as the a.c. phase-shift show a parabolic dependence upon the state-of-charge, with a maximum or minimum at 50% charge. These results are explained on the basis of a uniform transmission-line analog equivalent circuit for the battery electrodes.

Magnetic, electric, and dielectric properties of FeCo alloy nanoparticles dispersed in amorphous matrix

Nanocrystalline Fe53Co47 alloy was synthesized by a single-step transmetallation chemical method at room temperature. The Fe53Co47 alloy nanoparticles of 77 and 47 wt% were dispersed in silica matrix by the sol-gel process using tetraethyl orthosilcate. Structural studies reveal that the as-prepared alloy powders are in bcc phase and silica is in an amorphous state. The phase-transition temperature and Mossbauer spectra analysis of the Fe-Co alloy establishes the homogeneous alloy formation. A saturation magnetization of 218 emu/g was obtained for pure FeCo alloy at room temperature. Scanning electron microscopic analysis demonstrates the hollow-sphere morphology for FeCo alloy particles. Magnetic nanocomposite consisting of 47 wt% FeCo-silica shows enhanced thermal stability over the native FeCo alloy. Electrical and dielectric properties of 47 wt% FeCo-silica nanocomposites were investigated as a function of frequency and temperature. It was found that the dielectric constants and dielectric loss were stable throughout the measured temperature (310-373 K). Our results indicate that FeCo-silica nanocomposite is a promising candidate for high-frequency applications. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim