Electronic structures and chemical bonding in 4d transition metal monohalides

Bond distances, vibrational frequencies, dipole moments, dissociation energies, electron affinities, and ionization potentials of NIX (XM = Y-Cd, X = F, Cl, Br, I) molecules in neutral, positively, and negatively charged ions were studied by density functional method, B3LYP. The bonding patterns were analyzed and compared with both the available data and across the series. It was found that besides ionic component, covalent bonds are formed between the 4d transition metal s, d orbitals, and the p orbital of halogen. For both neutral and charged molecules, the fluorides have the shortest bond distance, iodides the longest. Although the opposite situation is observed for vibrational frequency, that is, fluorides have the largest value, iodides the smallest. For neutral and anionic species, the dissociation energy tends to decrease with the increasing atomic number from Y to Cd, suggesting the decreasing or weakening of the bond strength. For cationic species, the trend is observed from Y to Ag.

Abnormal phenomenon of ac Stark splitting in magneto-optical traps

We experimentally study the ac Stark splitting in D2 line of cold Rb-87 atoms. The frequency span between the Autler-Townes doublets is obviously larger than that derived from theoretical calculation. Two physical effects, which increase the effective Rabi frequency, contribute to the splitting broadening. First, atoms tend to distribute in strong lield places of a inhomogeneous red-detuned light field. Second, atoms reabsorb scattered light when they are huge in number and high in density.

Electrolyte electroreflectance spectroscopy studies on the interfacial behavior of the near-surface In0.15Ga0.85As/GaAs quantum well electrode vertical bar non-aqueous electrolyte

Electrolyte electroreflectance spectra of the near-surface strained-layer In0.15Ga0.85As/GaAs double single-quantum-well electrode have been studied at different biases in non-aqueous solutions of ferrocene and acetylferrocene. The optical transitions, the Franz-Keldysh oscillations (FKOs) and the quantum confined Stark effects (QCSE) of In0.15Ga0.85As/GaAs quantum well electrodes are analyzed. Electric field strengths at the In0.15Ga0.85As/GaAs interface are calculated in both solutions by a fast Fourier transform analysis of FKOs. A dip is exhibited in the electric field strength versus bias (from 0 to 1.2 V) curve in ferrocene solution. A model concerning the interfacial tunneling transfer of electrons is used to explain the behavior of the electric field. (C) 2001 Elsevier Science B.V. All rights reserved.

Electrical manifestation of the quantum-confined Stark effect by quantum capacitance response in an optically excited quantum well

We have studied the capacitance-voltage characteristics of an optically excited wide quantum well. Both self-consistent simulations and experimental results show the striking quantum contribution to the capacitance near zero bias which is ascribed to the swift decreasing of the overlap between the electron and hole wave functions in the well as the longitudinal field goes up. This quantum capacitance feature is regarded as an electrical manifestation of the quantum-confined Stark effect.

Selecting ionization path by dynamic stark shift with strong laser pulse

Multiphoton ionization of NO via intermediate Rydberg states with ultra-short laser pulses is investigated with time-resolved photoelectron spectroscopy in combination with fermosecond pump-probe technology. The Rydberg states of NO, which are characterized by obvious ac-Stark shift in ultra-strong laser field, can be tuned in resonance to ionize NO molecule at one's will with identical laser pulses, i.e., one can 'select' resonance path to ionization. The results shown in this Letter demonstrate that the states holding notable dynamic Stark shift provide us another dimension to chemical control with strong laser field. (C) 2003 Elsevier Science B.V. All rights reserved.

Internal Friction Of Bend-Deformed Nanocrystalline Nickel By Mechanical Spectroscopy

Internal friction of nanocrystalline nickel is investigated by mechanical spectroscopy from 360 K to 120 K. Two relaxation peaks are found when nanocrystalline nickel is bent up to 10% strain at room temperature and fast cooling. However, these two peaks disappear when the sample is annealed at room temperature in vacuum for ten days. The occurrence and disappearance of the two relaxation peaks can be explained by the interactions of partial dislocations and point defects in nanocrystalline materials.

Electrochemical Impedance Spectroscopy Of Peo Coating On Aluminum Alloy In Nacl Solution

Various Plasma Electrolytic Oxidation (PEO) ceramic coatings were prepared on LY12 aluminum alloy by adjusting the concentration of sodium silicate solution. Optical microscope (OM), XRD and EIS were used to study their morphology, composition and anti corrosion behavior in NaCl solution. Increasing concentration of sodium silicate leads to the increase of the total coating thickness while too high and too low concentration lead to the decrease of inner dense layer. The main composition of PEO coatings prepared in 20, 40 and above 60g/L concentration solution are correspondingly alumina, alumina with mullite, and amorphous phase. The corrosion resistance is determined by the inner dense layer. Increasing the thickness of inner dense layer can improve the anti-corrosion performance. PEO coating's corrosion resistance in acidic, alkaline and neutral NaCl solution is proved and the corrosion mechanism involved is also discussed.

Curie Transition Of Nc Nickel By Mechanical Spectroscopy And Magnetization Study

Mechanical spectroscopy measurement is performed to study the internal friction of nanocrystalline ( NC) nickel with an average grain size of 23 nm from room temperature to 610 K. An internal friction peak is observed at about 550 K, which corresponds to the Curie transition process of the NC nickel according to the result of magnetization test. Moreover, the fact that the Curie temperature of NC nickel is lower than that of coarse-grained nickel is explained by an analytical model based on the weakening of cohesive energy.

Space-resolved spectral diagnosis of line-shaped laser-produced magnesium plasmas

Space-resolved spectra of line-shaped laser-produced magnesium plasmas in the normal direction of the target have been obtained using a pinhole crystal spectrograph. These spectra are treated by a spectrum analyzing code for obtaining the true spectra and fine structures of overlapped lines. The spatial distributions of electron temperature and density along the normal direction of the target surface have been obtained with different spectral diagnostic techniques. Especially, the electron density plateaus beyond the critical surface in line-shaped magnesium plasmas have been obtained with a fitting technique applied to the Stark-broadened Ly-alpha wings of hydrogenic ions. The difference of plasma parameters between those obtained by different diagnostic techniques is discussed. Other phenomena, such as plasma satellites, population inversion, etc., which are observed in magnesium plasmas, are also presented.

Surface-enhanced resonance Raman scattering spectroscopy of single R6G molecules

Surface-enhanced resonance Raman scattering (SERRS) of Rhodamine 6G (R6G) adsorbed on colloidal silver clusters has been studied. Based on the great enhancement of the Raman signal and the quench of the fluorescence, the SERRS spectra of R6G were recorded for the samples of dye colloidal solution with different concentrations. Spectral inhomogeneity behaviours from single molecules in the dried sample films were observed with complementary evidences, such as spectral polarization, spectral diffusion, intensity fluctuation of vibrational lines and even "breathing" of the molecules. Sequential spectra observed from a liquid sample with an average of 0.3 dye molecules in the probed volume exhibited the expected Poisson distribution for actually measuring 0, 1 or 2 molecules. Difference between the SERRS spectra of R6G excited by linearly and circularly polarized light were experimentally measured.

Raman spectroscopy and luminescent properties of ZnO nanostructures fabricated by femtosecond laser pulses

In this paper, we report the laser-induced periodic structure with different spatial characteristics on the surface of polished ZnO single-crystalline by high repetition rate femtosecond laser pulses. This study demonstrates that, using different laser parameters and irradiation conditions, ZnO nanoripples and nanorods were successfully prepared. We have investigated the surface by means of scanning electron microscope (SEM), Raman scattering and photoluminescence (PL). We propose that second-order harmonic has a strong influence on the formation of nanostructures. (c) 2007 Elsevier B.V All rights reserved.

Sensitivity map of laser tweezers Raman spectroscopy for single-cell analysis of colorectal cancer

Raman spectroscopy on single, living epithelial cells captured in a laser trap is shown to have diagnostic power over colorectal cancer. This new single-cell technology comprises three major components: primary culture processing of human tissue samples to produce single-cell suspensions, Raman detection on singly trapped cells, and diagnoses of the cells by artificial neural network classifications. it is compared with DNA flow cytometry for similarities and differences. Its advantages over tissue Raman spectroscopy are also discussed. In the actual construction of a diagnostic model for colorectal cancer, real patient data were taken to generate a training set of 320 Raman spectra and, a test set of 80. By incorporating outlier corrections to a conventional binary neural classifier, our network accomplished significantly better predictions than logistic regressions, with sensitivity improved from 77.5% to 86.3% and specificity improved from 81.3% to 86.3% for the training set and moderate improvements for the test set. Most important, the network approach enables a sensitivity map analysis to quantitate the relevance of each Raman band to the normal-to-cancer transform at the cell level. Our technique has direct clinic applications for diagnosing cancers and basic science potential in the study of cell dynamics of carcinogenesis. (C) 2007 Society of Photo-Optical Instrumentation Engineers.

Study of the effect of alcohol on single human red blood cells using near-infrared laser tweezers Raman spectroscopy

The effect of alcohol solution on single human red blood Cells (RBCs) was investigated using near-infrared laser tweezers Raman spectroscopy (LTRS). In our system, a low-power diode laser at 785 nm was applied for the trapping of a living cell and the excitation of its Raman spectrum. Such a design could simultaneously reduce the photo-damage to the cell and suppress the interference from the fluorescence on the Raman signal. The denaturation process of single RBCs in 20% alcohol solution was investigated by detecting the time evolution of the Raman spectra at the single-cell level. The vitality of RBCs was characterized by the Raman band at 752 cm(-1), which corresponds to the porphyrin breathing mode. We found that the intensity of this band decreased by 34.1% over a period of 25 min after the administration of alcohol. In a further study of the dependence of denaturation on alcohol concentration, we discovered that the decrease in the intensity of the 752 cm(-1) band became more rapid and more prominent as the alcohol concentration increased. The present LTRS technique may have several potential applications in cell biology and medicine, including probing dynamic cellular processes at the single cell level and diagnosing cell disorders in real time. Copyright (c) 2005 John Wiley T Sons, Ltd.

Diagnosis of colorectal cancer using Raman spectroscopy of laser-trapped single living epithelial cells

A single-cell diagnostic technique for epithelial cancers is developed by utilizing laser trapping and Raman spectroscopy to differentiate cancerous and normal epithelial cells. Single-cell suspensions were prepared from surgically removed human colorectal tissues following standard primary culture protocols and examined in a near-infrared laser-trapping Raman spectroscopy system, where living epithelial cells were investigated one by one. A diagnostic model was built on the spectral data obtained from 8 patients and validated by the data from 2 new patients. Our technique has potential applications from epithelial cancer diagnosis to the study of cell dynamics of carcinogenesis. (c) 2006 Optical Society of America.

Al激光等离子体电子密度的空间分辨诊断

采用20μm的狭缝配平面晶体谱仪构成空间分辨光谱测量系统，对Al激光等离子体的K壳层发射谱进行测量。利用Al的Ly-α线谱的翼部Stark展宽效应推得电子密度空间分布轮廓．建立了翼部Stark展宽法测量高密度等离子体电子密度的诊断技术。