VIBRATIONAL SPECTROSCOPIC STUDY OF THE INTERACTION BETWEEN Ge-132 AND DIPALMITOYLPHOSPHATIDYLCHOL INE

The vibrational spectra of both pure DPPC liposomes and DPPC multilayers reconstituted with Ge-132 are reported as a function of temperature from 290 to 330K.The results show that the addition of Ge-132 results in suppression of the pretransition behavior and reduction of temperature of the main transition for reconstituted system.The results also show that the degree of rigidity of the acyl chain in the presence of Ge-132 is lower than that in pure DPPC dispersion within the investigated temperature range.

AN SCF-CI STUDY OF HIGHLY EXCITED VIBRATIONAL STATES OF BENT TRIATOMIC MOLECULES AND ITS APPLICATION TO O_(3)

A self-consistent-field—configuration interaction(SCF-CI)procedure of studying highly excited vibrational states of bent triatomic molecules is suggested and its application to O_3 is investigated.

A Study on the Vibration of the Charging Belt in an Electrostatic Accelerator

The vibration of the charging belt in an electrostatic accelerator has intense influ- ences on the accelerator operation. A calculating model was set up in this paper to study the belt vibration. The results show that the belt tension, belt velocity and belt current all contribute to the belt vibration. There is an optimal relationship among the three factors by which the belt would run most smoothly. There exists a minimum value of optimal tension for various belt velocities. The vibrating frequency of the is generally around several Hz.

Aerodynamic measurement of a large aircraft model in hypersonic flow

Accurate aerodynamic measurements in the hypersonic flow of large aircraft models in tunnels have practical significance, but pose a significant challenge. Novel aerodynamic force measurement methods have been proposed,but lack theoretical support. The forms of the force signals techniques for signal processing and calculation of aerodynamics are especially problematic. A theoretical study is conducted to investigate the dynamic properties based on models of the draw-rod system and slender rods. The results indicate that the inertia item can be neglected in the rod governing equation;further, the solutions show that the signals of each rod are a combination of aerodynamic signals（with a constant value） and sine signals, which can be verified by experimental shock tunnel results. Signal processing and aerodynamics calculation techniques are also found to be achievable via the flat part of the signals.

Synthesis, Structure and Quantum Mechanical Calculations of Methyl 2-(5-((Quinolin-8-yloxy)-methyl)-1,3,4-oxadiazol-2-ylthio)-acetate

The title compound was synthesized by the base catalyzed reaction of 5-（（quinolin- 8-yloxy）methyl）-1,3,4-oxadiazole-2（3H）-thione with methyl chloroacetate. The structure was supported by the spectroscopic data and unambiguously confirmed by single-crystal X-ray diffraction studies. It crystallizes from a methanol solution in the triclinic space group Pi with unit cell dimensions a = 7.4509（9）, b = 10.2389（12）, c = 12.2299（15）A, a = 74.771（2）, β = 77.956（2）, 7 = 69.263（2）°, V = 834.98（17） A3 and Z = 2. In order to gain some valuable insights into the molecular structure, the quantum mechanical calculations were performed using both HF and time-dependent density functional theory at the B3LYP/6-31G（d,p） level. The molecular geometry from X-ray determination of the title compound in the ground state has been compared using the Hartree-Fock （HF） and density functional theory （DFT） with the 6-31G（d） basis set. The calculated results show that the DFT and HF can well reproduce the structure of the title compound. The energetic behavior of the title compound was examined using the B3LYP method with the 6-31G（d） basis set. The harmonic vibrational frequencies calculated have been compared with the experimental FTIR and FT-Raman spectra. The restricted Hartree-Fock and density functional theory-based nuclear magnetic resonance （NMR） calculation procedure was also performed, and it was used for assigning the 13C and 1H NMR chemical shifts of the title compound. Moreover, molecular electrostatic potential and thermodynamic parameters of the title compound were investigated by theoretical calculations.

Study of vibrational relaxation of O_3 (001)using photoacoustic technique

The vibration- translational relaxation ime of ozone (001) was measured from phase delay of the photoacoustic detected signal with respect to signal of CO2-laser radiation in the binary mixtures of O3 with N2, O2, and Ar at the temperature 300°K. To eliminate the phase delay of the detected signal caused by inertia of the microphone membrane the technique of electrical activation was used.

Study on the vibrational energy transfer in beam-plate coupled structure

In this paper, a beam-plate coupled structure is discussed. The derivation of exact expressions for power transfer and numerical computation are carried on. It is found that the SEA techniques may be appropriate for strong coupled structures and that the general SEA result provides good agreement with the exact calculation when modal overlap is high. The derived formula is applied to predict the coupling loss factor and vibrational energy of substructures. The agreement between the estimated and measured results presents quite well in most cases.

Study of the vibrational photochemical reation of UF_6+HCl and its isotopic selectivity

The photochemical vibrational reaction of UF_6+HCl was investigated by exciting the ternary overtone of 3ν_3 of UF_6 in an intracavity CO laser system.It was found that the rate of the laser-driven reaction was much greater than that of the thermal reaction and this photochemical process had an isotopic selectivity.The uranium isotope enrichment factors measured in experiments wore around 1,007 in a single step.

Ab initio study of vibrational frequencies, force field and normal coordinate analysis of the cis- and trans-isomers of nitrosomethanol

In this paper, the equilibrium geometries of two isomers of the newly found compound ——nitrosomethanol——have been optimized by ab initio SCF MO method with 3-21G basic set by gradient technique. And the second derivatives of potential energy (i. e. the force constant matrix elements) have been calculated analytically. Hence the entire force fields of the two isomers of nitro- somethanol have been obtained theoretically. The theoretical vibrational frequencies and the corres- ponding normal modes were obtained and compared with the experimental values. and the structures of two isomeric forms of nitrosomethanol are established.

Crystal Structure, Vibrational Studies, Optical Properties and TG-DTA Investigations of a New Chlorocadmate Templated by 1-Methylimidazolium

Chemical preparation, X-ray single crystal diffraction, thermal analysis, electrochemical measurements, IR, Raman and UV spectroscopic investigations of a novel organic-inorganic hybrid material（CaH7N2）CdCl3（H2O）（1） were described. 1-Methylimidazolium aquapentachlorocadmate（II） crystallized in the monoclinic system with P2 1/n space group. Its structure provided a new interesting example of infinite inorganic layers of [CdCl3（H2O）]n n- centered by （-101） planes. The [CdCl5（H2O）]- anions were interconnected by O-H...Cl hydrogen bonds. Acidic protons of the chloride group were transferred to the organic molecule, giving the singly-protonated cations. The ability of ions to form a spontaneous three-dimensional structure through O-H…Cl and N-H…Cl hydrogen bonds was fully utilized. These hydrogen bonds induced notable vibrational effects. IR and Raman spectra were reported and discussed on the basis of group theoretical analysis and on quantum chemical density theory（DFT） calculation. The molecular HOMO-LUMO compositions and their respective energy gaps were also drawn to explain the activity of our compound. The role of the intermolecular interaction in this crystal was analyzed. The optical study was also investigated by UV-Vis absorption spectrum. Thermal analysis reveals the hydrous character of the compound. Cyclic voltammetry was studied to evaluate the spectral and structural changes accompanying electron transfer.

Experimental study on cross-sensitivity of temperature and vibration of embedded fiber Bragg grating sensors

In view of the principle for occurrence of cross-sensitivity, a series of calibration experiments are carried out to solve the cross-sensitivity problem of embedded fiber Bragg gratings(FBGs) using the reference grating method. Moreover, an ultrasonic-vibration-assisted grinding(UVAG) model is established, and finite element analysis(FEA) is carried out under the monitoring environment of embedded temperature measurement system. In addition, the related temperature acquisition tests are set in accordance with requirements of the reference grating method. Finally, comparative analyses of the simulation and experimental results are performed, and it may be concluded that the reference grating method may be utilized to effectively solve the cross-sensitivity of embedded FBGs.

Experimental studies on the vibration of perforated sheet

In the experiment we have measured the resonant frequencies of perforated sheets with perforation rates from 0.008 to 0.30. Compared those frequencies with the corresponding resonant frequencies of homogeneous, or un-perforated one we obtained an empirical relationship between the resonant frequency and perforation rate, which can be used for industrial purpose. We have also studied the change of vibrational energy distribution of perforated sheet related to that of homogeneous.