Synthesis of rare earth sulfides and their UV-vis absorption spectra

Rare earth sulfides were systematically synthesized via the sulfurization of their commercial oxide powders using CS2 gas to shorten sulfurization time, and their UV-vis absorption spectra were investigated. The appropriate sulfurization conditions were studied. For the rare earth sulfides with the same crystal structure, the sulfurization temperature showed increasing tendency with the decrease of rare earth element atomic radii. The UV-vis absorption spectra of rare earth sulfides did not depend on the crystal structure of rare earth sulfides, but on the 4f electronic structure of rare earth element. The data showed that the optical band gaps of rare earth sulfides were irregular, and the values ranged from 1.65 to 3.75 eV.

Electronic Absorption Spectra and Third-Order Nonlinear Optical Property of Dinaphtho[2,3-b:2’,3’-d]Thiophene-5,7,12,13- Tetraone (DNTTRA) and Its Phenyldiazenyl Derivatives: DFT Calculations

Third-order nonlinear optical (NLO) materials have broad application prospects in high-density data storage, optical computer, modern laser technology, and other high-tech industries. The structures and frequencies of Dinaphtho[2,3-b:2’,3’-d]thiophene-5,7,12,13-tetraone (DNTTRA) and its 36 derivatives containing azobenzene were calculated by using density functional theory B3LYP and M06-2X methods at 6-311++g(d, p) level, respectively. Besides, the atomic charges of natural bond orbitals (NBO) were analyzed. The frontier orbitals and electron absorption spectra of A-G5 molecule were calculated by TD-DFT (TD-B3LYP/6-311++g(d, p) and TD-M06-2X/6-311++g(d, p)). The NLO properties were calculated by effective finite field FF method and self-compiled program. The results show that 36 molecules of these six series are D-π-A-π-D structures. The third-order NLO coefficients γ (second-order hyperpolarizability) of the D series molecules are the largest among the six series, reaching 107 atomic units (10-33 esu) of order of magnitude, showing good third-order NLO properties. Last, the third-order NLO properties of the azobenzene ring can be improved by introducing strong electron donor groups (e.g. -N(CH3)2 or -NHCH3) in the azobenzene ring, so that the third-order NLO materials with good performance can be obtained.

Ab initio calculations for the absorption spectra and polarizabilities of small sulfur clusters

Absorption spectra for Sn clusters （n=2...8） are calculated using an adiabatic time-dependent density functional formalism within the local density approximation （LDA）. We compare the calculated spectra with those computed using a simple LDA approach. The time-dependent LDA （TDLDA） spectra display a significant blue shift with respect to the LDA spectra. The calculated spectra present a variety of features that can be used for comparison with future experimental investigations. We also obtain a significant threshold absorption, which can distinguish between different ground states of the sulfur clusters. In addition, the polarizabilities of the clusters are calculated by using the higherorder finite-difference pseudopotential density functional method in real space. We find that the polarizabilities of the clusters considered are higher than the value estimated from the ＇hard sphere＇ model using the bulk static dielectric constant. The computed polarizabilities per atom tend to decrease with increasing cluster size. The polarizabilities are closely related to the HOMO-LUMO gaps and the geometrical configurations.

Study on Visible Photoluminescence and Absorption Spectra of Fergusonite Group Minerals

Visible photoluminescence and absorption spectra of the metamict and annealing-recrystallized fergusonite and brocenite, found in Bayun Obo ore deposit in China, were determined and discussed. The results show that the glow centers of the fergusonite group minerals are Er3+ and Eu3 + when 488.0 and 514.5 nm lasers are used as excitation sources. The luminescence of fergusonites results mainly from Er3+, whereas that of brocenites is produced by Er3+ and Eu3+. The absorption spectra indicate that Nd3 + may be an important sensitizer to the luminescence of Er3 + and Eu3+.

Solvent effects on the S_0→S_2 absorption spectra of β-carotene

Absorption spectra of β-carotene in 31 solvents are measured in ambient conditions. Solvent effects on the 0-0 band energy, the bandwidth, and the transition moment of the S0 → S2 transition are analysed. The discrepancies between published results of the solvent effects on the 0-0 band energy are explained by taking into account microscopic solutesolvent interactions. The contributions of polarity and polarizability of solvents to 0-0 band energy and bandwidth are quantitatively distinguished. The 0- 0 transition energy of the S2 state at the gas phase is predicted to locate between 23000 and 23600 cm^-1.

STUDIES ON THE EFFECT OF DISSOLVED IONS ON SCO DEPRESSING PROPERTY USING ULTRAVIOLET ABSORPTION SPECTRA

SCO is a selective dolomite deperessant in the flotation system of collophane and dolomite. However,experi-ments confirmed that reverse phenomenon would occur for some phosphatic mines. In order to explain the SCO depress-ing mechanism i this paper describes studying results on the ef-fect of dissolved ions on SCO depressing property using ul-traviolet absorption spectra. It is found that the effect of dis-solved ions, especially Mg2+ ?on the SCO adsorption property is strong. When Mg2+ concentration is low,dolomite adsorbs SCO and is depressed. When Mgz+ concentration is more than 90g/t in pulp.SCO adsorption capacity on colophane is obvi-ously greater than that on dolomite,which results in the de-pression of collophane. The adsorption results are consistent with flotation results.

Preparation of I_2 Clusters and Their Absorption Spectra

Samples have been prepared at different temperatures by loading I2 molecules into the cages of zeolite 5A, and the measurements of the absorption spectra have been carried out for the prepared samples. It is shown that I2 molecular clusters are formed in the cages of zeolite 5A,and it is also found that moIecuIar clusters which are bonded with intermoIecuIar forces have an important feature, namely, the intermolecular distance in molecular clusters can be changed on different preparing conditions and the blue shift of absorption edges can not be as the criterion of forming molecular clusters.

HYPERSENSITIVITY IN THE ABSORPTION SPECTRA OF Nd^(3+) and Er^(3+) COMPLEXES WITH AMINO ACIDS

Spectroscopic properties of Nd^(3+),Er^(3+)-glutamic acid,aspartic acid and asparagine systems are investi- gated at different pH values and different Ln^(3+):amino acid ratios.The existence of 1:1 and 1:2.75 species in solution of pH=1～5 is proved.The dependence of oscillator strength of “hypersensitive” transition and parameter T_2 on acidic-basic properties of the ligand and correlation between oscillator strength of “hypersensitive” transition and parameter T_2 are discussed.

ABSORPTION SPECTRA OF 4f ELECTRON TRANSITIONS IN THE SYSTEM OF NEODYMIUMSEMIXYLENOL ORANGE-CETYLPYRIDINIUM CHLORIDE

In this paper the absorption spectra of Nd-SXO-CPC complex by 4f electron transitions have been studied by zero-order and fourth-order derivative spectrophotome-try. The molar absorptivity is 2.6×10~3 1.mol^(-1).cm^(-1) at 585 nm, the fourth-order derivative molar absorptivity is 1.4×10~4 1.mol^(-1).cm^(-1) at 584.5(-) and 587(+) nm. They are 300 times and 1600 times greater than those of the chloride, respectively.

Electronic Absorption Spectra of Copper(Ⅱ) Sulphophthalocyanine and Aggregation of the Dye in Aqueous Solution

Aggregation behavior of C.I.Direct Blue 86 was discussed using analyses of its UV-Vis spectra.The experiment results show that the dye molecules are inclined to aggregate in aqueous solution.Even in a very dilute solution of 0.050μmol/L,A618/A659 =1.2398,showing that the dye monomers still coexist with its dimers.The strong aggregation trend may cause dye precipitates at a higher concentration,which is an important factor that should be considered in producing a formula of ink-jet inks containing the dye as a colorant.

ABSORPTION SPECTRA OF 4f ELECTRON TRANSITIONS OF NEODYMIUM COMPLEX WITH 8-HYDROXYQUINOLINE AND OCTYLPHENOL POLY(ETHYLENEGLYCOL)ETHER

In this paper the absorption spectra of 4f electron transitions of the neodymlum complex with 8-hydroxyquinoline and octylphenol poly(ethyleneglycol)ether have been studied. The marked intensification of the band at low octylphenol poly(ethyleneglycol)ether concentration is found normally at 575 nm, and its resolution into three sharp bands centering at 572, 580 and 584 nm. The absorbances of the absorption maxima are 3.5 (at 572 nm), 7.2 (at 580 nm) and 10.2 (at 584 nm) times greater than that of the chloride.

Studies on the Absorption Spectra of Aqueous L-Tyrosine and Its Application

The absorption spectra of agueous L-tyrosine at various total ionic strengths were measured by UV-240 spectrophotometer at 298.2+/-0.2K and the standard third dissociation constant of L-tyrosine was determined from the spectra by linear extrapolation and polynomial approximation.

Study on the Absorption Spectra and Stability of Theaflavin Pigment

Theqflavin(TF) was extracted and purified from black broken tea. The purified TF possessed an absorption peak at the 363nm wavelength, and the solutions of TF remained stable under the conditions of pH3-6, below 80℃ within 60 minutes, as well as in 1%-4% Vc and 0.05-0.5mmol /L Na_(2)SO_(3) solutions. Fading occurred in 0.05mol/L Hf)^ solution.

Far-infrared Absorption Spectra and Properties of SnO_2 Nanorods

Nanostructured materials have drawn considerable attention because they are promising candidates for nextgeneration electronic and photonic devices with low power consumption[1-5]. A number of methods, such as laser ablation[6], template-induced growth[7], arc discharge [8], vapor transport [9], and molecular-beam epitaxy[10] have been developed to synthesize Si, Ge, MgO,SnO2, GaN, and Ga2O3 nanowires or nanorods[11-15].……

Sensitized photo-redox reaction——Ⅶ.The Synthesis,FAB mass spectrum,stationary absorption,emission,transient absorption spectra,redox potential of dihydroxy-tin(Ⅳ)-mesoporphyrin dimethyl ester and its sensitized photo-reduction of methyl viologen

In DMSO/water(4:1),photolysis of the dihydroxy-Sn(IV)-rnesoporphyrin dimethyl ester (SnP)/methyl viologen(MV^(2+))/ethylene diamine tetraacetic acid(EDTA)ternary system produces methyl viologen cation radical with a quantum yield of 0.67,much higher than that of systems with other metal complexes of rnesoporphyrin dimethyl ester.Neither EDTA nor MV^(2+) quenches the stationary fluorescence of SnP,implying that the reaction does not take place at the singlet state.With flash photolysis we obtain the T-T absorption spectrum of SnP(λ_(max)-440 nm).By following the decay of this absorption,the triplet life time of SnP is estimated to be 41 μs.The life time is related to the concentration of either MV^(2+) or EDTA.Good linear relationships are obtained by plotting τ_0/τ vs.the concentration of MV^(2+) or EDTA(Stern-Volmer plot),from which we determine the quenching constants:k_q(MV^(2+))=5.5×10~7 mol^(-7) s^(-1);kq(EDTA)=2.7×10~7 mol^(-1),s^(-1).The data suggests that upon photolysis of the above ternary system,both oxidative quenching and reductive quenching of the triplet state of the sensitizer are occurring.From the measured phosphorescence spectrum(λ_(max) 704nm)and the ground state redox potentials (E_(1/2)^(red)～-0.84V,E_(1/2)^(ox)～ Ag/AgCl,KCl(sat.)),we obtain the redox potential of triplet SnP to be E (P^+/P)～-0.33 V, E(P/P-)～+0.92 V.Matching this data with the redox potential of MV^(2+) and EDTA,we establish the fact that during the photolysis of the SnP/MV^(2+)/EDTA ternary system,both oxidative and reductive quenching are thermodynamically favorable processes.This is also the reason why the SnP sensitized reaction is much more efficient relative to other mesoporphyrin derivatives.

Characterization of Water Constituents Spectra Absorption in Chagan Lake of Jilin Province, Northeast China

Research on the optical characteristics of water color constituents in Chagan Lake of Jilin Province,Northeast China was carried out in order to investigate the variability of the spectra absorption parameters as inputs to bio-optical models and remote sensing algorithms for converting observed spectral signals into water quality information.Samples of total particulates,non-algal particles and colored dissolved organic matter (CDOM) were first prepared by quantitative filter technique (QFT) and then absorption coefficients of these color producing agents were determined by spectrophotometry.Spectral characteristics of absorption coefficients by total particulate matter,spectral specific absorption dependency on chlorophyll concentration (Chl-a) of phytoplankton,spectral absorption slopes variation for CDOM and non-algal particles and their corresponding reasons were examined and clarified over five months of 2009 and 2010 in this study.Results suggest that total particulate spectral absorption in Chagan Lake is mainly dominated by non-algal particles in most cases,but phytoplankton could be the dominant contributor when chlorophyll concentration is high (up to 84.48 mg/m3 in autumn 2010).The specific absorption coefficients of phytoplankton particulate (a*ph(λ)) dependency on Chl-a is significantly variable due to relative contributions of package effect and accessory pigments,and the parameters of power function are clearly biased on a long time span.The sources of variability in spectral absorption slopes of CDOM and non-algal particles are mainly attributed to the changing proportions of high molecular weight humic acids and mineral suspended sediments in waters,respectively.

Algae （Microcystis and Scenedesmus） absorption spectra and its application on Chlorophyll a retrieval

Blue algae and green algae are the dominant phytoplankton groups that contribute to the eutrophication and the water bloom in inland water of China. The absorption coefficients （spectra） of the algae, which do not change with its intrinsic optical characteristics and the observation geometry, are strictly additive quantities. The characteristics of the absorption spectra of the two algae are presented. The pure blue algae and the pure green algae cultured in the laboratory environment are diluted and mixed at ten volume ratios. The Quantitative Filter Technique was applied to measure their absorption spectra. The ＂hot-ethanol extraction＂ method was chosen to calculate their concentration of Chlorophyll a. The retrieval algorithm developed in this study extracts the mapping information between each individual alga and their Chlorophyll a concentration via Continuous Wavelet Transform, and retrieves the Chlorophyll a concentration of each alga in their mixture using a trust region optimizer. The results show that the retrieved and the measured Chlorophyll a concentrations of the blue algae and the green algae components in the ten mixture match well with the average relative error of 5.55%.

Effects of Doubled_CO_2 Concentration on Ultrastructure, Supramolecular Architecture and Spectral Characteristics of Chloroplasts from Wheat

Wheat ( Triticum aestivum L.) plants were grown under ambient and doubled_CO 2(plus 350 μL/L) concentration in cylindrical open_top chamber to examine their effects on the ultrastructure, supramolecular architecture, absorption spectrum and low temperature (77 K) fluorescence emission spectrum of the chloroplasts from wheat leaves. The results were briefly summarized as follows: (1) The wheat leaves possessed normally developed chloroplasts with intact grana and stroma thylakoid membranes; The grana intertwined with stroma thylakoid membranes and increased slightly in stacking degree and the width of granum, in spite of more accumulated starch grains within the chloroplasts than those in control; (2) The particle density in the stacked region of the endoplasmic fracture face (EFs) and protoplasmic fracture face (PFs) and in the unstacked region the endoplasmic fracture face (EFu) and the protoplasmic fracture face (PFu) was significantly higher than that of control. Furthermore, in some cases many more particles on EFs faces of thylakoid membranes appeared as a paracrystalline particle array; (3) The variations in the structure of chloroplasts were consistent with the absorption spectra and the low temperature (77 K) fluorescence emission spectra of the chloroplasts developed under the doubled_CO 2 concentration. Results indicate that the capability of light energy absorption of chloroplasts and regulative capability of excitation energy distribution between PSⅡ and PSⅠ were raised by doubled_CO 2 concentration. This is very favorable for final productivity of wheat.

Pr(Ⅲ) and Nd(Ⅲ) Absorption Spectroscopic Probe to Investigate Interaction with Lysozyme (HEW)

Pr（ Ⅲ ） and Nd（ Ⅲ ） can be utilized as absorption spectroscopic probes to investigate the interaction of biomolecules like Lysozyme （HEW） with Ca（ Ⅱ ） in-vitro ; the most abundant metal ion in the human body system. The spectroscopic techniques involving comparative absorption, absorption difference, and quantitative intensity analysis using 4f-4f transitions are utilized for changes in the inner sphere coordination pattern of Pr（ Ⅲ ） and Nd（Ⅲ ） in solution as well as in solid state. The present study deals with an important biomolecule in human metabolism, that is, Lysozyme （HEW）. The absorption er-Condon the probab spectral parameters such as the oscillator strength （P）, the Judd-Ofelt （Tλ） intensity parameters, and the Slatinter electronic parameters are calculated using chi square methods. The obtained results are used to determine le geometry of the complex in the solution, the nature of the bond between Pr（Ⅲ）/Nd（Ⅲ） with lysozyme, and the inner sphere coordination environment of f-f transitions. The results obtained from various experimental conditions are utilized to investigate the coordination changes in the Pr（Ⅲ）/Nd（Ⅲ） complexes caused by different coordinating sites of lysozyme, normalized bite, denticity, the solvent nature, the coordination number, the nature of bond and other parameters to mimic the interaction of the Ca（ Ⅱ ） ion with such biomolecule.

Preparation and Spectral Analysis of Gold Nanoparticles Using Magnetron Sputtering and Thermal Annealing

Gold（Au） nanoparticles were prepared on Au-fi lm-coated K9 glass and silicon substrates by direct current（DC） magnetron sputtering and thermal annealing treatment. The effects of substrate material, annealing temperature, and time on morphologies of Au nanoparticles were investigated, and the formation mechanism of Au nanoparticles was discussed. The experimental results indicate that silicon substrate is more suitable for the formation of Au nanoparticles. On a silicon substrate, Au nanoparticles formed with good spherical shapes at temperature over 700 ℃. It was also found by spectral analysis that the fi eld enhancement factor of the island-shaped Au particles was smaller than that of the granular Au particles; the better the spherical shape as well as the smaller the size and spacing of Au particles, the higher the light absorption rate; the absorption peak had a red shift with increasing particle size and spacing.