137 resultados para vibrational spectrum

em Chinese Academy of Sciences Institutional Repositories Grid Portal


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The vibrational spectrum of the CaAl2B2O7 was investigated. It was shown that the vibrations of the BO3 groups are present in the region of 1400 similar to 600 cm(-1), and the bands at 519 nm(-1) may originate from the AlO6 vibration. The luminescence properties of Eu3+ in CaAl2B2O7 were investigated. It was found that the Eu3+ ion in CaAl2B2O7 occupies two different sites. Investigation on the phonon sideband of Eu3+ indicates that BO3 groups are present in the:surroundings of Eu3+ ions.

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The system Al2O3-B2O3-Eu2O3, with Al/B ratio varying from 4.5 to 2 and Eu/(Al+B)=0.02, was synthesized by solid state reaction. The vibrational spectra of the system Al2O3-B2O3-Eu2O3 were investigated. It was found that no definite change in the regions of 1200 similar to 1000 cm(-1) due to the adsorption BO4 groups with decreasing Al/B ratio, indicating no Al3+ ion was substituted by Eu3+ ions and other changes revealed that there was an amorphous phase and Eu3+ ions may dope into the amorphous phase. The studies on the luminescent properties of the system Al2O3-B2O3 also show that Eu3+ ions dope into amorphous phase. The investigations on the phonon sideband of Eu3+ indicate that electron-phonon coupling strength decreases with Al/B ratio change from 3 to 2, leading to the non-radiative decay rate decreases and the Eu3+-emission intensity increase.

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The solid state complexes of trivalent lanthanid, yttrium and scandium with cyclohexane carboxylic acid have been isolated and characterized by IR and Raman spectroscopy. It was found that there are only chelated carboxylate groups in the scandium complex and that there are the chelated, bridged and chelate-bridged carboxylate groups in other rare earth complexes. The former is a mononuclear complex and the latter is a polynuclear polymer. The RE—O coordinate bonds possess the characters of convalent ionic ...

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The stretching vibrational spectra of H2S have been calculated by using the algebraic model, and the local mode characteristics have been analyzed. Within the vibrational quanta v=5, the standard deviation is 1.71 cm(-1), which is better than that from the local model HCAO model calculation.

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Semi-empirical molecular orbital calculations using PM3 Hamiltonian were employed to determine qualitative assignments of the vibrational spectrum of zinc phthalocyanine (ZnPc). The assignments are from the potential energy distribution calculations in the normal coordinate analysis and optimized geometry in the PM3 calculations. The structure of the ZnPc molecule is also deduced. (C) 1999 Elsevier Science B.V. All rights reserved.

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采用提拉法生长Y3Al5O12(YAG)晶体和Yb3+掺杂原子数分数分别为5%, 10%, 15%, 20%, 25%, 50%和100%的Yb∶Y3Al5O12(Yb∶YAG)晶体。系统表征和分析了Yb3+掺杂浓度对拉曼光谱的影响。随着Yb3+掺杂浓度的增加,晶体的振动模式没有明显的变化,晶体结构没有改变;在370 cm-1和785 cm-1附近,振动吸收峰的半峰全宽逐渐增大。分析得出,Yb3+掺杂浓度对晶体的晶格、对称性、荧光寿命均有影响,从而可能影响到晶体的光谱和激光性能。

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A theoretical method to calculate multidimensional Franck-Condon factors including Duschinsky effects is described and used to simulate the photoelectron spectrum of the anion SO. Geometry optimizations and harmonic vibrational frequency calculations have been performed on the XA(1) state of SO2 and (XB1)-B-2 state of SO2. Franck-Condon analyses and spectral simulation were carried out on the first photoelectron band of SO2. The theoretical spectra obtained by employing CCSD(T)/6-31 I+G(2d,p) values are in excellent agreement with the experiment. In addition, the equilibrium geometric parameters, r(c)(OS) = 0.1508 +/- 0.0005 nm and theta(e)(O-S-0) = 113.5 +/- 0.5 degrees, of the (XB1)-B-2 state of SO2, are derived by employing an iterative Franck-Condon analysis procedure in the spectral simulation. (c) 2005 Elsevier B.V. All rights reserved.

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In the present paper the measured values of vibrational temperature behind strong shock waves are compared with theoretical ones. The histories of vibrational temperature behind strong shock waves in a shock tube were measured using two monochromators. The test gas was pure nitrogen at 100-300Pa, and the speeds of shock waves were 5.0-6.0km/s. The electronic temperature of N-2(+) was also approximately determined from experiment and compared with the experimental vibrational temperature. The results show that the presented calculational method is effective, and the electronic energy of N2+ is excited much faster than its vibrational energy. One Langmuir probe was used to determine the effective time of region 2. The influence of viscosity in the shock tube is also analyzed.

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We investigate the optical transmission properties of a combined system which consists of two quantum-dot-nanocavity subsystems indirectly coupled to a waveguide in a planar photonic crystal. A Mollow-like triplet and the growth of sidebands are found, reflecting intrinsic optical responses in the complex microstructure.

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以共焦显微系统为平台,研究了不同浓度的R6G银溶胶的表面增强共振拉曼散射(SERRS)光谱,结果表明不同浓度溶液中的R6G分子表现出了不同的光谱特性。在浓度为10^-13mol·L^-1的R6G银溶胶中得到了R6G单分子的表面增强共振拉曼散射光谱,观察到了一些光谱非均匀变化现象,如谱色散、谱线的强度起伏、拉曼谱的偏振化以及分子的闪烁等,并对这些现象进行了分析,证明得到的是R6G单分子的SERRS光谱。文章还对单分子检测中的一些关键问题进行了分析与讨论,确定了单分子SERRS光谱检测的适当条件。

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We investigate the energy spectrum of fermionized bosonic atoms, which behave very much like spinless noninteracting fermions, in optical lattices by means of the perturbation expansion and the retarded Green's function method. The results show that the energy spectrum splits into two energy bands with single-occupation; the fermionized bosonic atom occupies nonvanishing energy state and left hole has a vanishing energy at any given momentum, and the system is in Mott-insulating state with a energy gap. Using the characteristic of energy spectra we obtained a criterion with which one can judge whether the Tonks-Girardeau (TG) gas is achieved or not.

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With the method of Green's function, we investigate the energy spectra of two-component ultracold bosonic atoms in optical lattices. We End that there are two energy bands for each component. The critical condition of the superfluid-Mott insulator phase transition is determined by the energy band structure. We also find that the nearest neighboring and on-site interactions fail to change the structure of energy bands, but shift the energy bands only. According to the conditions of the phase transitions, three stable superfluid and Mott insulating phases can be found by adjusting the experiment parameters. We also discuss the possibility of observing these new phases and their transitions in further experiments.

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We investigate the energy spectrum of ground state and quasi-particle excitation spectrum of hard-core bosons, which behave very much like spinless noninteracting fermions, in optical lattices by means of the perturbation expansion and Bogoliubov approach. The results show that the energy spectrum has a single band structure, and the energy is lower near zero momentum; the excitation spectrum gives corresponding energy gap, and the system is in Mott-insulating state at Tonks limit. The analytic result of energy spectrum is in good agreement with that calculated in terms of Green's function at strong correlation limit.

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We demonstrate that a pattern spectrum can be decomposed into the union of hit-or-miss transforms with respect to a series of structure-element pairs. Moreover we use a Boolean-logic function to express the pattern spectrum and show that the Boolean-logic representation of a pattern spectrum is composed of hit-or-miss min terms. The optical implementation of a pattern spectrum is based on an incoherent optical correlator with a feedback operation. (C) 1996 Optical Society of America