Search results for "Fine structure"
showing 10 items of 656 documents
Defects in yttrium aluminium perovskite and garnet crystals: atomistic study
2000
Native and impurity point defects in both yttrium aluminium perovskite (YAP) and garnet (YAG) crystals are studied in the framework of the pair-potential approximation coupled with the shell model description of the lattice ions. The calculated formation energies for native defects suggest that the antisite disorder is preferred over the Frenkel and Schottky-like disorder in both YAP and YAG. The calculated values of the distortion caused by the antisite YAl x in the lattice turn out to be in an excellent agreement with the EXAFS measurements. In non-stoichiometric compounds, the calculated reaction energies indicate that excess Y2 O3 or Al2 O3 is most likely to be accommodated by the forma…
Studies of narrow autoionizing resonances in gadolinium
2003
The autoionization (AI) spectrum of gadolinium between the first and second limits has been investigated by triple-resonance excitation with high-resolution cw lasers. A large number of narrow AI resonances have been observed and assigned total angular momentum J values. The resonances are further divided into members of AI Rydberg series converging to the second limit or other ''interloping'' levels. Fine structure in the Rydberg series has been identified and interpreted in terms of Jc j coupling. A number of detailed studies have been performed on the interloping resonances: These include lifetime determination by lineshape analysis, isotope shifts, hyperfine structure, and photoionizati…
ESR and electrochemical studies of 2-acylpyridines and 6,6'-diacyl-2,2'-bipyridines.
2005
Abstract The ESR spectra of radicals obtained by electrolytic reduction of 2-acylpyridines and 6,6′-diacyl-2,2′-bipyridines were measured in dimethylsulfoxide (DMSO) and analyzed by quantum chemical calculations. The electrochemistry of these compounds was characterized using cyclic voltammetry, in DMSO solvent. The results showed a two step reduction mechanism, first wave was assigned to the generation of the correspondent free radical species, and the second wave was assigned to the dianion derivatives. AM1 and DFT calculations were performed to obtain the optimized geometries, theoretical hyperfine constants, and spin distributions, respectively. The theoretical results are in complete a…
Synthesis, chemical characterization and preliminary in vitro antitumor activity evaluation of new ruthenium(II) complexes with sugar derivatives
2011
Abstract Three new complexes of Ru(II), namely [RuCl 2 (Glun-N,O) 2 ]Na 2 ( I ; Glun = glucosaminate), [RuCl 2 (1-Tglu)(EtOH) 2 ]Na ( II ; 1-Tglu = 1-thio-β- d -glucose) and [Ru 2 (EtOH) 6 (AL)Cl 4 ] ( III ; AL = 6′-aminolactose) were prepared from the same Ru(II) precursor, [RuCl 2 (DMSO) 4 ] (DMSO = dimethyl sulfoxide). The characterization of the complexes was carried out by elemental analysis, FT-IR, ES-MS, NMR, EXAFS and DFT calculations. The effectiveness of the complexes on metastatic melanoma A 375 was investigated. The results show that complex II is the most active species.
Rotation of methyl radicals in a solid krypton matrix
2009
Electron spin resonance (ESR) measurements were carried out to study the rotation of methyl radicals (CH(3)) in a solid krypton matrix at 17-31 K temperature range. The radicals were produced by dissociating methane by plasma bursts generated by a focused 193 nm excimer laser radiation during the krypton gas condensation on the substrate. The ESR spectrum exhibits only isotropic features at the temperature range examined, and the intensity ratio between the symmetric (A) and antisymmetric (E) spin state lines exhibits weaker temperature dependence than in a solid argon matrix. However, the general appearance of the methyl radical spectrum depends strongly on temperature due to the pronounce…
Mössbauer relaxation spectra in arbitrarily ordered absorbers—Line shape analysis for an iron(II) spincrossover complex in the presence of texture
1989
The stochastic theory of Mossbauer line shapes is formulated in a fashion which allows the evaluation of the spectral shapes for absorbers of arbitrary thickness, texture, and an anisotropic Lamb—Mossbauer factor. The results are specialized to a two-state-relaxation model of fluctuating electric hyperfine interaction in the case of an absorber of axially symmetric texture. The formalism is applied to the line shape analysis of Mossbauer spectra of a textured sample of the spin-crossover complex [Fe(mtz)6] (PF6)2 (mtz=1-methyltetrazole). It is found that between 185 and 240 K the rate constants for the HS→LS conversion are temperature independent, whereas an Arrhenius behaviour is found for…
The hyperfine structure in the rotational spectrum of CF+
2012
Context. CF+ has recently been detected in the Horsehead and Orion Bar photo-dissociation regions. The J=1-0 line in the Horsehead is double-peaked in contrast to other millimeter lines. The origin of this double-peak profile may be kinematic or spectroscopic. Aims. We investigate the effect of hyperfine interactions due to the fluorine nucleus in CF+ on the rotational transitions. Methods. We compute the fluorine spin rotation constant of CF+ using high-level quantum chemical methods and determine the relative positions and intensities of each hyperfine component. This information is used to fit the theoretical hyperfine components to the observed CF+ line profiles, thereby employing the h…
Collisional relaxation measurements on Pb+ hyperfine levels
1993
The time constants for population relaxation of optically pumped Pb+ ions in a Paul ion trap have been determined in a He buffer gas atmosphere with additional components of other gases. For the 6P1/2 ground state of Pb+ and an ion temperatur of 104 K we find cross sections of 0.72(0.33)·10−17 cm2; 0.59(0.38)·10−15 cm2; and 2.56(0.74)·10−14 cm2 for He, N2 and O2, respectively. The error includes an estimated 20% uncertaincy in the pressure calibration of a residual gas analyser.
Sawtooth-wave adiabatic-passage slowing of dysprosium
2018
We report on sawtooth wave adiabatic passage (SWAP) slowing of bosonic and fermionic dysprosium isotopes by using a 136 kHz wide transition at 626 nm. A beam of precooled atoms is further decelerated in one dimension by the SWAP force and the amount of atoms at near zero velocity is measured. We demonstrate that the SWAP slowing can be twice as fast as in a conventional optical molasses operated on the same transition. In addition, we investigate the parameter range for which the SWAP force is efficiently usable in our set-up, and relate the results to the adiabaticity condition. Furthermore, we add losses to the hyperfine ground-state population of fermionic dysprosium during deceleration …
Data from: Individual differences in selective attention predict speech identification at a cocktail party
2017
Listeners with normal hearing show considerable individual differences in speech understanding when competing speakers are present, as in a crowded restaurant. Here, we show that one source of this variance are individual differences in the ability to focus selective attention on a target stimulus in the presence of distractors. In 50 young normal-hearing listeners, the performance in tasks measuring auditory and visual selective attention was associated with sentence identification in the presence of spatially separated competing speakers. Together, the measures of selective attention explained a similar proportion of variance as the binaural sensitivity for the acoustic temporal fine stru…