Recent advances in electronic tongues

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Structural and Electronic Properties of Lithiated SnO2. A Periodic DFT Study

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Electronic Perspective on the Electrochemistry of Prussian Blue Films

The derivative of the voltabsommetric scans, together with previous nano-electrogravimetric and X-ray diffraction results, allow different electrochemical processes to be distinguished during the Prussian blue (PB) voltammetric scan. Potassium, proton, and hydrated proton counterions involved in PB electrochemistry are related here to the electrochemical reactions of specific Fe sites. Potassium counterions show two different sites for their insertion: one located in the crystalline framework and another in ferrocyanide vacancies. From the monitoring of electroactive Fe sites, the covalent-exchange model is suggested as one of the first approaches to explain the origin of the PB magnetic ordering observed at room temperature during voltammetric scanning.

Presence of excited electronic state in CaWO4 crystals provoked by a tetrahedral distortion: An experimental and theoretical investigation

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Electrochemistry of organometallic compounds. Part III. Oxidations of methyl derivatives of organocobalt(III) complexes with delocalized electronic structure in dimethylformamide

The influence of the equatorial ligand on the electrochemical oxidation of the compounds [H3CCo(chel)B], where chel is bis (dimethylglyoximato), (DH)2; bis(salicylaldehyde)ethylenediimine, salen; bis(salicylaldehyde) o-phenylenediimine, salophen; bis(salicylaldehyde)cyclohexylenediimine, salcn; bis(acetylacetone) ethylenediimine, bae; and where B is pyridine when chel is (DH2), and dimethylformamide (DMF) when chel represents a Schiff base (salen, salcn, salophen and bae), was studied by means of cyclic voltammetry in DMF, 0.2 M in tetraethylammonium perchlorate, between 25 and -25°C, with a platinum disk working electrode. Absorption spectra in the visible and near ultraviolet regions for these compounds in DMF at 25°C were obtained. The complexes exhibit a reversible one-electron oxidation, at -20°C with scan rates >0.5 V s-; chemical reactions following electron transfer are not detected under these conditions. At slower potential or higher temperatures, the oxidized product decomposes chemically in a solvent-assisted (or nucleophile-assisted) reaction, yielding products which are electroactive in the applied potential range. The behavior of the [H3CCo (DH2)py] derivative is better described as a quasi-reversible charge transfer followed by an irreversible chemical reaction. Experimental evidence suggests that in the case of the [H3CCo(bae)] derivative at -20°C, the reactive -species is pentacoordinated and weakly adsorbed at the electrode surface. The value of E 1 2 and the energies of the first two absorption bands in the visible spectra reveal the ability of the studied complexes to donate and to delocalize electronic charge. © 1982.

Electronic spectra, ESR and crystal structure of tetrahedral halocuprates(II). The existence of cations (2tbpo·H+) with a very short hydrogen bond

Two compounds [2tbpo·H+)2[CuCl4]= (yellow) and (2tbpo·H+)2[CuBr4]= (dark purple) (tbpo = tribenzylphosphine oxide) have been prepared and investigated by means of crystal structure, electronic, vibrational and ESR spectra. The crystal structure of the (2tbpo·H+)2[CuCl4]= complex was determined by three-dimensional X-ray diffraction. The compound crystallizes in the space group P42/n with unit-cell dimensions a = 19.585(2), c = 9.883(1)Å, V = 3790 (1)Å3, Z = 2, Dm = 1.303 (flotation) Dx = 1.302 Mg m-3. The structure was solved by direct methods and refined by blocked full-matrix least-squares to R = 0.053 for 2583 observed reflections. Cu(II) is coordinated to four chlorides in a tetrahedral arrangement. Tribenzylphosphine oxide molecules, related by a centre of inversion, are connected by a short hydrogen bridge. Chemical analysis, electronic and vibrational spectra showed that the bromide compound is similar to the chloride one and can be formulated as (2tbpo·H+)2[CuBr4]=. The position of the dd transition bands, the charge transfer bands, the ESR and the vibrational spectra of both complexes are discussed. The results are compared with analogous complexes cited in the literature. © 1983.

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.

Signatures of spontaneous breaking of R-parity in gluino cascade decays at LHC

We study the pattern of gluino cascade decays in a class of supersymmetric models where R-parity is spontaneously broken. We give a detailed discussion of the R-parity violating decays of the lightest neutralino, the second lightest neutralino and the lightest chargino. The multi-lepton and same-sign dilepton signal rates expected in these models are compared with those predicted in the Minimal Supersymmetric Standard Model. We show that these rates can be substantially enhanced in broken R-parity models. © 1997 Elsevier Science B.V.

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.

Multilepton signatures for leptoquarks

The production of third generation leptoquarks can give rise to multilepton events accompanied by jets and missing ET. In this work we study the signals of these leptoquarks at the CERN Large Hadron Collider and compare them with the ones expected in supersymmetric models. ©1998 The American Physical Society.

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.