Electrical Properties and Raman Spectra of BaBi1-xPbxO3

Crystal structure, electrical properties and Raman spectra of BaBi1-xPbxO3 are reported. The result of x-ray diffraction shows that the specimen is pure, and the lattice parameters decrease continuously in the semiconducting range, whereas it vibrates similarly to a sine wave in the superconducting range, which is ascribed to the existence of oxygen vacancies and the function of breathing modes of Bi（Pb）O6. The temperature dependence of resistivity indicates that the electrical property of the samples is connected sensitively with the crystal structures. Raman spectra show that the specimen becomes disorder when x increases, and the critical temperature To depends not only on the deformation potential of the soft A19 mode derived from the Bi（Pb）O6 rigid rotation, but also on the energy shift of the mode.     

Giant Raman Scattering Spectra of the Molecular Complex Doxorubicin–DNA

We have investigated the giant Raman scattering spectra of the doxorubicin–DNA complex adsorbed on the surface of annealed thin silver films modified by sodium chloride. It is found that doxorubicin interacts with DNA via carbon groups with involvement of their electron system into interaction. Heating of a substrate in the process of adsorption from 20 to 37°C leads to a sharp increase in the number of chemisorbed molecules as a result of the thermally activated formation of specific adsorption sites. It has been found that in adsorption of the doxorubicin–DNA complex on the substrate surface, the chromophore molecules are oriented predominantly in parallel with the surface of the metal.     

Raman Spectra of Proton-Exchanged LiNbO3 Optical Waveguides

Based on the Raman spectrum measurement, we investigate the mechanism of proton exchange, by which the optical waveguides are formed in the LiNbO3 crystal which are proton doped. The proton source is formed by a mixture of benzoic and adipic acids. The experimental results show that there is a Raman formant peak of optical waveguide at 650cm^-1, and the higher the relative percentage of the mol ratio of adipic acid dilution, the higher the intensity of the Raman formant peak.     

Temperature—Dependent Raman Spectra and Microstructure of Barium Metaborate Crystals and Its Melts

We have measured the Raman spectra of β-and α－barium metaborate in crystal and liquid states from room temperature to 1873K,with a semiconductor laser as the laser source,coupled with a time-resolved detection system to eliminate the dense thermal emission background when temperature was considerably high.Temperature-dependent Raman spectra can clearly indicate that the phase transformation from β-to α-barium metaborate has been completed during 1273-1300K.Variations of different kinds of microstructure units with temperature are identified and discussed.     

Raman Spectra of Glycine and Their Modeling in Terms of the Discrete–Continuum Model of Their Water Solvation Shell

Optics and Spectroscopy - Raman spectra of glycine in a crystalline form and in a water environment have been obtained. B3LYP/6-311++G(3df,2p) quantum-chemical calculations have shown that an...     

An Ab-Initio Calculation of Raman Spectra of Binary Sodium Silicates

Raman spectra of binary sodium silicates are calculated by self-consistent field (SCF) molecular orbital ab initio calculation of the quantum chemical method with several poly silicon-oxygen tetrahedral model clusters when both the basis sets of 6-31 G and 6-31 G(d) are applied. The symmetric stretching vibrational frequency of     

Stark–Zeeman and Blokhintsev Spectra of Rydberg Atoms

Journal of Experimental and Theoretical Physics - The problem of Rydberg atomic spectra in crossed electric F and magnetic B fields (combined Stark–Zeeman effects), as well as an oscillating...     

Raman Spectra of Alkali and Alkaline Earth Metal Salts of Inosine 5′-Monophosphoric Acid

Crystalline Li(I), Na(I), K(I), Mg(II), Ca(II), Sr(II), Ba(II) and Cd(II) salts of inosine 5′-monophosphoric acid, H₂(IMP), were obtained and characterized by Raman spectroscopy. Splitting of the imidazolic 1480 cm⁻¹ band was observed for the N(7)-bound Ca(IMP)·6H₂O, Ba(IMP)·6H₂O, Sr(IMP)·6H₂O and Cd(IMP)·4H₂O compounds. The Li(I), Mg(II), Ca(II) and Cd(II) ions bind directly to the phosphate group, and no direct coordination involving the carbonyl C(6)O group was observed in the compounds reported here. Some Raman spectral features in the 750–700 cm⁻¹ range seem to reflect the nucleoside structure of the inosine moiety     

Vibrational Spectra of 2,2′-Pyridil and 2,2′-Pyridil-18O and Assignment of Infrared and Raman Bands

Abstract

Vibrational spectra of 2,2′-pyridil and 2,2′-pyridil-¹⁸O in the solid state and in solutions have been measured in the Raman (4000–50 cm^?1) and infrared (4000–100 cm^?1). The assignment of the bands observed is performed using the group vibrational concept and isotopic shifts data of the normal modes. The presence of synand anti-phase vibrations of both pyridyl rings is discussed. The results are compared to the corresponding data for some similar molecules.     

Resonant Raman Scattering Spectra of Zn‐Phthalocyanine and Zn‐Phthalocyanine‐d 16

We obtained the resonant Raman scattering spectra of Znphthalocyanine and of its fully deuterated analog, Znphthalocyanined ₁₆. We performed calculation of normal vibrations and using it, interpreted the Raman scattering spectra. We characterized the form of vibration with the aid of potential energy distribution. For the majority of vibrations the calculation adequately describes the observed isotropic shifts. The correspondence between the vibrational states of Znphthalocyanine and metal complexes of tetrabenzoporphin has been established in confirmation of the proposed detailed interpretation of the spectra.     

High–pressure electrical conductivity and Raman spectroscopy of chalcanthite

Abstract

The phase transitions and dehydration of chalcanthite were investigated by electrical conductivity and Raman spectroscopy at 1.0–24.0?GPa and 293–673?K in a diamond anvil cell. At ambient temperature, two secondary phase transitions were observed according to discontinuous changes in the slope of Raman shifts, full width at half maximum and electrical conductivities at ～7.3 and ～10.3?GPa. The dehydration temperatures were determined by the splitting of Raman peaks and changes in electrical conductivity as ～350 and ～500?K at respective ～3.0 and ～6.0?GPa. A positive relationship for chalcanthite between dehydration temperature and pressure is established.     

Predicting Raman Spectra with ab initio Calculations

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Raman Spectra Concentrational Dependence of Naphthalene - Cyclohexane and Naphthalene-Methanol Solutions Frozen at 77° K

The concentrational dependence of Raman spectra of frozen at 77°K naphthalene solutions in cyclohexane and in methanol is studied. An increase in the naphthalene Raman line intensity is observed for the naphthalene-cyclohexane system in a concentrational range in which a quasilinear fluorescence spectrum is recorded.     

IR Spectra and Structure of Immunoactive 8–Azasteroids in Model Compounds

The IR spectra of biologically active molecules of 8-azasteroids and model compounds in the region of C=O, C=C, C--N, and C--H vibrations (1800–1400 cm^–1) have been studied in detail. The structure of compounds containing isostructural and isoelectronic --acyl----aminovinylcarbonyl and --acyl----alkoxyvinylcarbonyl fragments have been analyzed. Interpretation of the structure of the IR spectra and of the specificity of the manifestation of the vibrational modes under consideration in the molecules of a particular class of 8-azasteroids is given. The electronic structure of the molecules under investigation complies with the model of mesomeric tautomerism of the aminovinyldicarbonyl fragment.     

On the Diffuse Structure of the Toluene–Water Interface

The electric density profile along the normal to the phase interface between aromatic hydrocarbon toluene and water has been studied by X-ray reflectometry using synchrotron radiation. According to the experimental data, the width of the interface under normal conditions is (3.9 ± 0.1) Å. This value is much larger than a theoretical value of (5.7 ± 0.2) Å predicted by the theory of capillary waves with an interphase tension of (36.0 ± 0.1) mN/m. The observed broadening of the interface is attributed to its own diffuse near-surface structure with a width no less than Å, which is about the value previously discussed for (high-molecular-weight saturated hydrocarbon–water) and (1,2-dichloroethane–water) interfaces.     

Model of Raman–Nath acousto-optic diffraction

In this Letter, we discuss Raman–Nath acousto-optic diffraction, and a new model of Raman–Nath acousto-optic diffraction is presented. The model is based on the individual and simultaneous occurrences of phase-grating diffraction and the Doppler effect and optical phase modulation and photon–phonon scattering. We find that the optical phase modulation can cause temporal and spatial fluctuations of the diffracted light power escaping from the acoustic field.     

Surface-Radiative Modes and Longitudinal Excitons in the Spectra of Exciton–Polariton Luminescence

A cascade fiber-optic system that generates pulses of high spectral density by using the effect of nonlinear spectral compression is proposed. It is demonstrated that the shape of the pulse envelope substantially influences the degree of compression of its spectrum. In so doing, maximum compression is achieved for parabolic pulses. The cascade system includes an optical fiber exhibiting normal dispersion that decreases along the fiber length, thereby ensuring that the pulse envelope evolves toward a parabolic shape, along with diffraction gratings and a fiber spectral compressor. Based on computer simulation, we determined parameters of cascade elements leading to maximum spectral density of radiation originating from a subpicosecond laser pulse of medium energy.     

A New Method for the Raman Spectra Calculation of Vitreous or Molten Silicate

A new method is deduced to calculated the Raman spectra of vitreous or molten silicate.This method includes five steps:(i) molecular dynamics simulation to generate thousands of vitreous or molten configurations in equilibrium;(ii)decomposing the configurations into five kinds of defined tetrahedral units;(iii) normal vibrational analysis with Wilson‘s GF matrix method for the eigenfrequencies and eigenvectors of each tetrahedral unit;(iV) Raman intensity calculations for each vibrational mode by utilizing the electro-optical parameter method and bond polarizability model;(v)accumulating the data of frequencies and corresponding intensities to form the prtial Raman spectral line of each defined tetrahedral unit and finally the envelope.