Search results for " function"
showing 10 items of 9395 documents
Glow Rate Technique for Spectroscopy of Complex Thermostimulated Relaxation Processes
1996
The glow rate technique (GRT) developed for the analysis of complex trap spectra, is the extension of the known heating rate method to the full glow curve. It is shown that using two glow curves measured at different heating rate constants, a special mean activation energy of simultaneously emptied traps can be obtained as a function of temperature or emitted light sum to a good approximation. Expressions have been derived for the calculation of the mean activation energy function from data measured using a linear, logarithmic or a hyperbolic heating mode. Theoretical expressions for the mean activation energy function have been obtained and discussed for arbitrary trap distribution functio…
Temperature-dependent angular resolved UV-photoemission spectroscopy from CeNi2Ge2
2001
Abstract Pronounced temperature effects in angular resolved ultraviolet photoelectron spectroscopy from the (001) surface of the ternary heavy fermion compound CeNi 2 Ge 2 are presented. The measurements were performed on atomically clean and well-ordered thin films grown on a W(110) substrate. A strongly enhanced intensity at the Fermi edge ( ϵ F ) is observed at low-temperatures if the spectra are excited by means of HeI light ( hν =21.2 eV). In addition, the work function is dramatically increased with temperature, exhibiting an unusually high positive temperature coefficient of about 0.65 meV/K. The observed temperature dependency suggests a strong redistribution of the states near the …
Diagnostics of capillary mercury–argon high-frequency electrodeless discharge using line shapes
2005
Abstract The profiles of the 253.7 nm spectral line, emitted from the capillary argon–mercury isotope high-frequency electrodeless discharge, are measured by means of a pressure-scanned Fabry–Perot spectrometer. Spectral line profiles are collected from two lamps at the argon pressure of 2 and 10 Torr, in dependence on the discharge current and Hg vapor densities corresponding to the cold spot temperatures of 25–80 °C. By means of a multi-parameter non-linear line profile fitting procedure of multiple overlapping self-reversed Voigt profiles, the temperature of the radiating atoms and the optical density were estimated. The capillary and spherical discharge conditions were compared. The opt…
Application of a radiative cooling model to daily minimum temperature prediction
1985
A model of exponential decrease of temperature is applied to the study of night cooling in an agricultural area of citrus orchards located near the Valentian Coast (Spain). A set of annual average parameters which determine that cooling is obtained by using temperature measurements at different levels during two years. These parameters appear to be representative of the thermal behaviour of the area of study. The attainment of such parameters allows a prediction of the minimum temperatures of the area to an accuracy of £1.5 K, knowing the temperature at sunset and some time later.
An Experimental and Computational Study on the Effect of Al(OiPr)3 on Atom-Transfer Radical Polymerization and on the Catalyst-Dormant Chain Halogen …
2005
International audience; Compound Al(OiPr)3 is shown to catalyze the halide-exchange process leading from [Mo(Cp)Cl2(iPrN=CH-CH=NiPr)] and CH3CH(X)COOEt (X=Br, I) to the mixed-halide complexes [Mo(Cp)ClX(iPrN=CH-CH=NiPr)]. On the other hand, no significant acceleration is observed for the related exchange between [MoX3(PMe3)3] (X=Cl, I) and PhCH(Br)CH3, by analogy to a previous report dealing with the RuII complex [RuCl2(PPh3)3]. A DFT computation study, carried out on the model complexes [Mo(Cp)Cl2(PH3)2], [MoCl3(PH3)3], and [RuCl2(PH3)3], and on the model initiators CH3CH(Cl)COOCH3, CH3Cl, and CH3Br, reveals that the 16-electron RuII complex is able to coordinate the organic halide RX in a…
Thermochemical analysis of the OH+C2H4→C2H4OH reaction using accurate theoretical methods
2001
Abstract The radical addition of hydroxyl radical to ethene has been investigated using ab initio methods and density functional theory. The structure and energetics of reactants, prereaction complex, transition state structure and radical product have been optimized and vibrational frequencies have been calculated at the HF, MP2, B88, and B3LYP level using 6-31G* and 6-311G** basis sets. The energetics of the reaction is characterized within the MP2, DFT, G2, CBS, and BAC approaches. The evolution of the barrier height and reaction enthalpy has been systematically investigated with respect to the methodological approach employed. The best agreement with experimental results for the barrier…
Unexpected Reaction of the Unsaturated Cluster Host and Catalyst [Pd3(3-CO)(dppm)3]2+ with the Hydroxide Ion: Spectroscopic and Kinetic Evidence of a…
2006
The title cluster, [Pd(3)(mu(3)-CO)(dppm)(3)](2+) (dppm=bis(diphenylphosphino)methane), reacts with one equivalent of hydroxide anions (OH(-)), from tetrabutylammonium hydroxide (Bu(4)NOH), to give the paramagnetic [Pd(3)(mu(3)-CO)(dppm)(3)](+) species. Reaction with another equivalent of OH(-) leads to the zero-valent compound [Pd(3)(mu(3)-CO)(dppm)(3)](0). From electron paramagnetic resonance analysis of the reaction medium using the spin-trap agent 5,5-dimethyl-1-pyrroline-N-oxide (DMPO), the 2-tetrahydrofuryl or methyl radicals, deriving from the tetrahydrofuran (THF) or dimethyl sulfoxide (DMSO) solvent, respectively, were detected. For both [Pd(3)(mu(3)-CO)(dppm)(3)](2+) and [Pd(3)(mu…
Theoretical investigation of paramagnetic diazabutadiene gallium(III)-pnictogen complexes: insights into the interpretation and simulation of electro…
2005
The electronic structures and the spin density distributions of the paramagnetic gallium 1,4-diaza(1,3)butadiene (DAB) model systems [((t)Bu-DAB)Ga(I)[Pn(SiH3)2]]* and the related dipnictogen species [((t)Bu-DAB)Ga[Pn(SiH3)2]2]* (Pn = N, P, As) were studied using density functional theory. The calculations demonstrate that all systems share a qualitatively similar electronic structure and are primarily ligand-centered pi-radicals. The calculated electron paramagnetic resonance (EPR) hyperfine coupling constants (HFCCs) for these model systems were optimized using iterative methods and were used to create accurate spectral simulations of the parent radicals [((t)Bu-DAB)Ga(I)[Pn(SiMe3)2]]* (P…
Trap Spectroscopy by the Glow Rate Technique using Bleaching of Colour Centres
2002
An application of the glow rate technique (GRT) for analysis of the parameters of thermostimulated decay of colour centres is presented using the data on the decay of radiation defects in LiBaF 3 :Fe crystals created by X rays at 300 K. The GRT offers a procedure for evaluation of the mean activation energy as a function of temperature in the case of arbitrary thermostimulated relaxation kinetics represented by the trap distribution function. The experimental procedure involves at least two subsequent measurements of thermostimulated decay kinetics at different heating rates. It is shown that the decay of the F type centres is governed by interaction of mobile anion vacancies with F A and F…
Radon-Nikodym theorem in quasi *-algebras
2013
In this paper some properties of continuous representable linear functionals on a quasi $*$-algebra are investigated. Moreover we give properties of operators acting on a Hilbert algebra, whose role will reveal to be crucial for proving a Radon-Nikodym type theorem for positive linear functionals.