Electronic structure of polyacetylene with bonded oxygen

In this work we have studied the electronic structure of finite polyacetylene chains with structural oxygen-bonding models following data from 13C-NMR experiments. We have used a combination of Austin Method One and Hydrogenic Atoms in Molecules version 3 methods to perform geometric and spectroscopic calculations. Our results show that the electronically-active states are generally unaffected by the incorporation of oxygen. © 1992.

Synthesis, structure, and electronic and EPR spectra of copper(II) complexes containing the [CuBr4]2- anion and triphenylarsine oxide

The preparation and characterization of (Ph3AsOH)2[CuBr4] and [Cu(Ph3AsO)4][CuBr4] are reported (Ph3AsO = triphenylarsine oxide). Crystallographic analysis of the monoclinic crystals of (Ph3AsOH)2[CuBr4] (space group C2/c, a = 17.569 (3) Å, b = 13.090 (2) Å, c = 16.933 (2) Å, and β = 105.64 (2)°, R = 0.055 and Rw = 0.057) revealed the presence of compressed [CuBr4]2- tetrahedra of C2 symmetry with Cu-Br distances of 2.340 (1) and 2.437 (1) Å and trans-Br-Cu-Br angles of 139.2 (1) and 122.4 (1)°. The oxonium cations hydrogen bond to the bromine atoms involved in the longer Cu-Br bonds and the smaller trans-Br-Cu-Br angle. Single-crystal electronic and EPR spectra are interpreted in terms of the observed [CuBr4]2- geometry. Analysis of the electronic and EPR spectra of [Cu(Ph3AsO)4][CuBr4] led to the postulation of the presence of planar [Cu(Ph3AsO)4]2+ cations and distorted tetrahedral [CuBr4]2- anions. © 1992 American Chemical Society.

Theoretical investigation of the electronic structure and absorption spectra of carbon cluster nanotubes

Electronic and optical properties of recently discovered single-shell carbon cluster nanotubes are studied through a semiempirical INDOCI method. The calculations are performed within the cluster model and include up to 196 atoms. The trend of the forbidden band gap with the number of carbon atoms (Cn n = 60, 10, 140) for a fixed diameter is analyzed. With increasing n the band gap decreases, as expected. The tubule, with diameter of 7.2Å (as C60-Buckyball) is predicted to be a metal or a narrow-gap semiconductor. The calculated absorption spectra of the clusters show a characteristic strong peak around 40,000 cm-1. Other features of the calculated UV-visible absorption spectra are discussed. © 1994.

Crystal, Molecular, and Electronic Structure of 1-Acetyl-indoline and Derivatives

The crystal and molecular structures of the following molecules have been determined: 1-acetyl-indoline, 1-acetyl-5-nitro-indoline, 1-acetyl-5-nitro-7-bromo-indoline, 1-acetyl-5-bromo-7-nitro-indoline, and 1-acetyl-5-bromo-7-nitro-indol. Molecular orbital calculations are performed for these compounds and two related species.

Novel high-power-factor isolated electronic ballast for multiple tubular fluorescent lamps

This paper presents a novel isolated electronic ballast for multiple fluorescent lamps, featuring high power-factor, and high efficiency. Two stages compose this new electronic ballast, namely, a new voltage step-down isolated Sepic rectifier, and a classical resonant Half-Bridge inverter. The new isolated Sepic rectifier is obtained from a Zero-Current-Switching (ZCS) Pulse-Width-Modulated (PWM) soft-commutation cell. The average-current control technique is used in this preregulator stage in order to provide low phase displacement and low Total-Harmonic-Distortion (THD) at input current, resulting in high power-factor, and attending properly IEC 61000-3-2 standards. The resonant Half-Bridge inverter performs Zero-Voltage-Switching (ZVS), providing conditions for the obtaining of overall high efficiency. It is developed a design example for the new isolated electronic ballast rated at 200W output power, 220Vrms input voltage, 115Vdc dc link voltage, with rectifier and inverter stages operating at 50kHz. Finally, experimental results are presented in order to verify the developed analysis. The THD at input current is equal to 5.25%, for an input voltage THD equal to 1.63%, and the measured overall efficiency is about 88.25%, at rated load.

Electronic correlations in a two-level dimer

The exact solution for the full electronic Hamiltonian for a two-level dimer is obtained. The parameter constellation (roughly 20) is reparametrized via orthogonal Gaussian atomic orbitals, yielding a five-parameter model. With the dimer embedded in a thermal bath, the specific heat and several temperature-dependent dynamical susceptibilities are computed. © 2001 Elsevier Science B.V. All rights reserved.

A high efficiency HPF-ZCS-PWM Sepic for electronic ballast with multiple tubular fluorescent lamps

This paper presents a high efficiency Sepic rectifier for an electronic ballast application with multiple fluorescent lamps. The proposed Sepic rectifier is based on a Zero-Current-Switching (ZCS) Pulse-Width-Modulated (PWM) soft-commutation cell. The high power-factor of this structure is obtained using the instantaneous average-current control technique, in order to attend properly IEC61000-3-2 standards. The inverting stage of this new electronic ballast is a classical Zero-Voltage-Switching (ZVS) Half-Bridge inverter. A proper design methodology is developed for this new electronic ballast, and a design example is presented for an application with five fluorescent lamps 40W-T12 (200W output power), 220Vrms input voltage, 130Vdc dc link voltage, with rectifier and inverter stages operating at 50kHz. Experimental results are also presented. The THD at input current is equal to 6.41%, for an input voltage THD equal to 2.14%, and the measured overall efficiency is about 92.8%, at rated load.

Root instrumentation with an erbium:yttrium-aluminum-garnet laser: Effect on the morphology of fibroblasts

Objective: The purpose of this study was to evaluate the effect of erbium:yttrium-aluminum-garnet laser instrumentation of root surfaces on the morphology of fibroblasts from continuous lineage. Method and materials: Dentinal slices with 4 mm2 of surface area were obtained from teeth extracted for severe periodontal involvement. Specimens were assigned to one of three treatment groups: group 1, application of the laser with an energy level of 250 mJ at 103 pulses per second; group 2, application of the laser with an energy level of 80 mJ at 166 pulses per second; and group 3, similar to group 2, but with concomitant water irrigation of the device. The specimens were incubated in multiwell plates containing cell culture media. After 24 hours, the specimens were submitted to routine preparation for scanning electron microscopy. Three independent and blind examiners used photomicrographs to evaluate the morphology of the fibroblasts: 0 = without cells; 1 = flat cells; 2 = round cells; and 3 = combination of round and flat cells. Results: Statistical analysis indicated that there were significant differences among treatment groups and that group 3 was significantly different from groups 1 and 2. Conclusion: There was no difference between groups 1 and 2 in the morphology of fibroblasts. Laser instrumentation with concomitant irrigation impaired the adhesion of fibroblasts to dentinal surfaces.

Contribution of oxygen related defects to the electronic transport in SnO2 sol-gel films

SnO2 deposited by sol-gel is a polycrystalline film with small grain size. Oxygen present at a less grain boundary traps electrons and then the depletion layer around the potential barrier of the grain boundary becomes wider, comparable to the grain size. We have modeled the conductivity taking into account the trapped charge at the depletion layer of the grain boundary and other scattering mechanisms such as ionized impurity and polar optical. Experimental data of photoconductivity of SnO2 sol-gel films are simulated considering the dominant scattering at grain boundary and crystallite bulk. The fraction of trapped charge at the grain boundary depends on temperature and wavelength of irradiating light, being as high as 50% for illumination in the range 500-600 nm for SnO2-2%Nb as grown sample annealed in air to 550°C. This fraction can be quite reduced depending on exposure to light and annealing under different oxygen partial pressure conditions.

An Improved Design Procedure for LCC Resonant Filter of Dimmable Electronic Ballasts for Fluorescent Lamps, Based on Lamp Model

This paper presents an improved design methodology for determining the parameters used in the classical Series-Parallel Loaded Resonant (SPLR) filter employed in the switching frequency controlled dimmable electronic ballasts. According to the analysis developed in this paper, it is possible to evaluate some characteristics of the resonant filter during the dimming process, such as: range of switching frequency, phase shift and rms value of the current drained by the resonant filter + fluorescent lamp set.

Density functional theory calculation of the electronic structure of Ba0.5Sr0.5TiO3: Photoluminescent properties and structural disorder

First-principles quantum-mechanical techniques, based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and deformed asymmetric models for Ba0.5Sr 0.5TiO3. Electronic properties are analyzed and the relevance of the present theoretical and experimental results on the photoluminescence behavior is discussed. The presence of localized electronic levels in the band gap, due to the symmetry break, would be responsible for the visible photoluminescence of the amorphous state at room temperature. Thin films were synthesized following a soft chemical processing. Their structure was confirmed by x-ray data and the corresponding photoluminescence properties measured.

Clarke's alpha, beta and zero components: A possible approach for the conceptual design of instrumentation compatible with IEEE Std. 1459-2000

The paper explains the conceptual design of instrumentation that measures electric quantities defined in the trial-use Std. 1459-2000. It is shown how the Instantaneous-Space-Phasor (ISP) approach, based on α, β, 0 components, can be used to monitor electric energy flow, evaluate the utilization of transmission line and quantify the level of harmonic pollution injected by nonlinear loads.

Dimmable electronic ballast with high power-factor SEPIC preregulator, for multiple tubular fluorescent lamps

An electronic ballast for multiple tubular fluorescent lamps is presented in this paper. The proposed structure features high power-factor, dimming capability, and soft-switching to the semiconductor devices operated in high frequencies. A Zero-Current-Switching - Pulse-Width-Modulated (ZCS-PWM) SEPIC converter composes the rectifying stage, controlled by the instantaneous average input current technique, performing soft-commutations and high input power factor. Regarding the inverting stage, it is composed by a classical resonant Half-Bridge converter, associated to Series Parallel-Loaded Resonant (SPLR) filters. The dimming control technique employed in this Half-Bridge inverter is based on the phase-shift in the current processed through the sets of filter + lamp. In addition, experimental results are shown in order to validate the developed analysis.

An improved design procedure for LCC resonant filter of dimmable electronic ballasts for fluorescent lamps, based on lamp model

This paper presents an improved design methodology for the determination of the parameters used in the classical series-resonant parallel-loaded (SRPL) filter employed in the switching frequency controlled dimmable electronic ballasts. According to the analysis developed in this paper, it is possible to evaluate some important characteristics of the resonant filter during the dimming operation, such as: range of switching frequency, phase shift, and rms value of the current drained by the resonant filter + fluorescent lamp set. Experimental results are presented in order to validate the analyses developed in this paper. © 2005 IEEE.

Virtual instrumentation applied to the implementation of IEEE STD 1459-2000 power definitions

This paper discusses the utilization of Virtual Instrumentation to the implementation and evaluation of different power definitions, so that classical formulations and new definitions can be compared without the necessity of acquiring different power meters or analyzers. Accordingly, the definitions of IEEE Standard 1459-2000 for the measurement of power quantities under distorted and unbalanced situations, have been digitally implemented. Thus, several power and power factor components related to the decomposition of the measured voltage and current signals have been obtained. The proposed PC-based Virtual Instrument uses a high performance acquisition board and isolated sensors and transducers. All digital algorithms and routines have been implemented by means of a graphical development system. Regarding to the implementation of STD 1459, this paper also proposes several different algorithms to the required decompositions of voltage, current and power components. © 2005 IEEE.