Electronic Acceptors
Mostrando 1-12 de 12 artigos, teses e dissertações.
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1. DFT Study of the Interaction between the Ni2+ and Zn2+ Metal Cations and the 1,2-Dithiolene Ligands: Electronic, Geometric and Energetic Analysis
Density functional theory (DFT) (B3LYP/6-311++G(d,p)) calculations of the interacting strength 1,2-dithiolene anionic ligands with the [M(OH2)4]2+ and [M(OH2)2]2+ complexes (M = Ni and Zn) were performed. Three series of ligands were studied: compounds with an aromatic ring, with an ethylene moiety and with a heterocyclic ring. The ligands have substituents
J. Braz. Chem. Soc.. Publicado em: 23/05/2019
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2. Estudo das estruturas de discordâncias cristalinas em arseneto de gálio
We employ ab initio calculations to investigate 90º partial dislocations in gallium arsenide. In a binary semiconductor like GaAs, two types of dislocations are present. In the a(ß) dislocation, there are two lines of arsenic (gallium) atoms on each side, bordering the geometric center of the dislocation core. For both the a ß and dislocations, we conside
Publicado em: 2009
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3. SÍNTESE, ESTUDOS ESPECTROSCÓPICOS E ESTRUTURAIS DE COMPLEXOS CONTENDO O LIGANTE 4,4- BIPIRIDINA, O ÂNION BARBITURATO E OS ÍONS METÁLICOS DA PRIMEIRA SÉRIE DE TRANSIÇÃO (Fe2+, Co2+, Ni2+, Cu2+ e Zn2+)
This work describes the synthesis and characterization of five new transition metal complexes of general formula MB2Bipy.10H2O (where M = Fe2+, Co2+, Ni2+, Cu2+ and Zn2+, B is barbiturate anion and Bipy is 4,4-bipyridine) . Several physical and spectroscopical techniques were used to characterize the compounds, such as elemental analysis (CHN), thermal analy
Publicado em: 2009
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4. Estrutura eletronica de precursores de alomelaninas / Electronic structure of allomelanins precursors
In this work we studied, on the basis of a semiempirical and ab initio approaches, the structure and electronic properties of some allomelanins precursors. Allomelanins are part of an ubiquitous class of dark pigments known as melanins and their precursors are formed by monomers of catechol and o-benzoquinone units. Due to the lack of extensive experimental
Publicado em: 2008
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5. Comportamento eletroquímico de nitrofuranos em eletrodos de diamante dopado com boro-modelo para o mecanismo de ação de nitrocompostos com atividades antichagásica / Electrochemical behaviour of nitrofurans on highly boron doped diamond Electrodes-model for the action mechanism of the nitrocompounds with antichagasic activity
The electrochemical behaviour of nitrofural (NFZ) at carbon paste, glassy carbon and highly boron doped diamond (HBDD) electrodes was studied in Britton- Robinson (BR) buffer using cyclic voltammetry. The best results were obtained at HBDD electrodes, in which it was possible to stabilize the radical anion (R-NO2•‾) in predominantly aqueous mediu
Publicado em: 2007
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6. Electronic structure of quantum wires by spatial charge distribution / Estrutura eletrônica de fios quânticos gerados por distribuição de carga espacial
In this work we investigate the electronic structure of space-charge quantum wires obtained via attachment of donors in misorientation steps of semiconductor vicinal surfaces. Recent experimental studies, combining epitaxial growth on GaAs (100) vicinal surfaces (terraces) with the ?-doping technique, suggests that the incorporation of Silicon donors is pref
Publicado em: 1997
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7. Um estudo teorico das propriedades estruturais e oticas de derivados de Eumelanina
Melanins are a class of biological pigments widely spread over in nature from fungi to man. They are roughly classified in three great subclass: eumelanins, pheomelanins and allomelanins. In this work we restrict ourselves to investigate the subclass of eumelanins, the pigment present in most pigmented animal tissues. It is believed that the main biological
Publicado em: 1997
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8. Estrutura e reatividade de sulfóxidos de rutênio com bases heterocíclicas nitrogenadas / Structure and reactivity of ruthenium sulfoxides containing nitrogen heterocyclic bases
Ruthenium(II) sulfoxides are compounds of great interest in oxidative catalysis and in chemotherapy. In order to contribute for the understanding of the chemistry and electronic structure of this class of compounds, it has been studied a series of [RuCl2(S-dmso)2Lx] complexes, where x = 1 (polymeric compounds) or 2 (monomers) and L = N-heterocyclic ligands (
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 30/11/1990
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9. Partial Purification and Properties of a β-d-Glucosyltransferase Occurring in Germinating Phaseolus aureus Seeds 1
A soluble enzyme that transfers d-glucose from uridine diphosphate d-glucose to low molecular weight hydroxyl compounds has been discovered in germinating mung bean (Phaseolus aureus) seeds and purified 220-fold. Phenol and n-butyl alcohol are the most reactive aceptors examined. The reactivities of various acceptors are largely independant of hydroxyl group
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10. Spectroscopic studies of the protein-methylglyoxal adduct.
Spectroscopic measurements are reported for the effects of pH, time, solvent, and chemical modification of arginine and lysine side chains on the reaction of proteins with methylglyoxal. The reaction responsible for the appearance of a brown coloration and increased submolecular electronic activity in the proteins involves the epsilon-amino groups of the lys
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11. Evaluation of the Distribution of Distances Between Energy Donors and Acceptors by Fluorescence Decay
When transfer of electronic excitation energy occurs between a donor-acceptor pair by the Förster mechanism, the decay of fluorescence of the donor follows first-order kinetics, with a rate constant that depends on the distance from donor to acceptor. In a system that contains donor-acceptor pairs of different separations, the fluorescence decay of the dono
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12. Wire-like charge transport at near constant bridge energy through fluorene oligomers
The study of photoinitiated electron transfer in donor–bridge–acceptor molecules has helped elucidate the distance dependence of electron transfer rates and behavior of various electron transfer mechanisms. In all reported cases, the energies of the bridge electronic states involved in the electron transfer change dramatically as the length of the bridge
National Academy of Sciences.