Three-dimensional ab initio dipole moment surfaces and stretching vibrational band intensities of the XH3 molecules

Stretching vibrational band intensities of XH₃ (X=N, Sb) molecules are investigated employing three-dimensional dipole moment surfaces combined with the local mode Hamiltonian model.The dipole moment surfaces of NH₃ and SbH₃ are calculated with the density functional theory and at the correlated MP2 level,respectively. The calculated band intensities are in good agreement with the available experimental data. The contribution to the band intensities from the different terms in the polynomial expansion of the dipole moments of four group V hydrides (NH₃, PH₃,AsH₃ and SbH₃) are discussed. It is concluded that the breakdown of the bond dipole approximation must be considered. The intensity “borrowing” effect due to the wave function mixing among the stretching vibrational states is found to be less significant for the molecules that reach the local mode limit.     

甲醇在纳米TiO2作用下进行光催化氧化反应的机理研究

以纳米TiO2 为催化剂 ,以主波长为 36 4nm的汞灯为光源 ,用气相色谱法分别考察了 0 .1mol/L的甲醇、甲醛和甲酸水溶液进行光催化氧化反应的动力学规律 .Langmuir Hinshelwood方程进行核算结果证明 ,该组反应均为零级反应 .用TEM、XRD、SSA和XPS对催化剂进行表征 .根据XPS的检测结果提出了甲醇光催化氧化的反应机理 .TiO2 光激发活化时间约为 30～ 6 0min ,生成物及剩余反应物浓度随时间变化的曲线表明 ,该反应速率为HCH2 OH 相似文献   

类氦离子的KLL双电子复合过程的相对论理论研究

在相对论多组态Dirac-Fock理论基础上，发展了计算双电子复合截面的程序.并以类锂C³⁺，Ar¹⁵⁺，Kr³³⁺和U⁸⁹⁺等离子为例，详细计算了共振双激发态1s2l2l′的辐射衰变率、Auger衰变率及相应的双电子复合截面.对于C⁴⁺，Ar^l6+和Kr³⁴⁺离子的结果与已有的计算和实验结果都能很好地符合；对于U⁹⁰⁺离子，则重点 关键词： 双电子复合 截面 MCDF     

Generalized G-KKM Theorems in Generalized Convex Spaces and Their Applications

Some new generalized G-KKM and generalized S-KKM theorems are proved under the noncompact setting of generalized convex spaces. As applications, some new minimax inequalities, saddle point theorems, a coincidence theorem, and a fixed point theorem are given in generalized convex spaces. These theorems improve and generalize many important known results in recent literature.     

啁啾激光场中HF分子的经典解离

应用经典理论并采用辛算法，计算了HF分子在啁啾激光作用下的经典解离.讨论了激光场中HF分子的解离概率随时间的变化以及考虑振动-转动能级跃迁对分子解离概率的影响.计算结果与理论分析相符，说明运用经典理论并采用辛格式计算双原子分子在激光作用下的经典解离是有效和可行的. 关键词： 啁啾激光场 经典解离 辛算法     

Echolocation click sounds from wild inshore finless porpoise (Neophocaena phocaenoides sunameri) with comparisons to the sonar of riverine N. p. asiaeorientalis

Acoustic signals from wild Neophocaena phocaenoides sunameri were recorded in the waters off Liao-dong-wan Bay located in Bohai Sea, China. Signal analysis shows that N. p. sunameri produced "typical" phocoenid clicks. The peak frequencies f(p) of clicks ranged from 113 to 131 kHz with an average of 121+/-3.78 kHz (n=71). The 3 dB bandwidths delta f ranged from 10.9 to 25.0 kHz with an average of 17.5+/-3.30 kHz. The signal durations delta t ranged from 56 to 109 micros with an average 80+/-11.49 micros. The number of cycles N(c) ranged from 7 to 13 with an average of 9+/-1.48. With increasing peak frequency there was a faint tendency of decrease in bandwidth, which implies a nonconstant value of f(p)/delta f. On occasion there were some click trains with faint click energy presenting below 70 kHz, however, it was possibly introduced by interference effect from multiple pulses structures. The acoustic parameters of the clicks were compared between the investigated population and a riverine population of finless porpoise.     

A lateral super-resolution differential confocal technology with phase-only pupil filter

In order to achieve a higher lateral resolution required for ultraprecision measurement of microstructural workpieces, phase-only pupil filtering differential confocal microscopy (PFDCM), a new approach is proposed based on the differential confocal microscopy (DCM), which uses a three-zone phase-only pupil filter with lateral super-resolution capability obtained through optimized design to change the distribution of DCM three-dimensional point spread function, so that the DCM lateral resolution is therefore significantly improved while its axial resolution is slightly improved. Preliminary experimental comparison and analyses indicate that, the lateral and axial resolutions of PFDCM are better than 0.2 μm and 2 nm, respectively, when wavelength of incidence laser beam , numerical aperture of measuring lens NA=0.85, and lateral spot size with a three-zone phase-only pupil filter G_T=0.65. It is therefore concluded that PFDCM is a new approach to further improvement of lateral resolution in laser probe measurement systems.     

Improved method for loss measurements in planar waveguides

A method employing an isosceles prism and a right-angle one is developed for loss measurement in planar waveguides. During the measuring process, the isosceles prism is fixed and the right-angle prism fixed on the waveguide slides by following the waveguide. Only by adjusting the gap thickness we can realize the loss measurement in planar waveguides. The method is demonstrated with an Ag/Na ion-exchanged waveguide fabricated on BK7 glass from AgNO₃ melt diluted with NaNO₃ (mass ratio 1:9), with the condition of 4 h and . The experimental results show that the method has the advantages on convenient operation, accurate results and no required end polishing.     

Synthesis of 1,5-dinitroaryl-1,4-pentadien-3-ones under ultrasound irradiation

1,5-Dinitroaryl-1,4-pentadien-3-ones were synthesized with ultrasound irradiation in the presence of K(2)CO(3) as catalyst. The reaction mechanism and the factors influencing the product were also discussed. The present procedure is more convenient with shorter reaction time and higher yields compared with conventional methods.     

Beam-helicity asymmetry in photon and pion electroproduction in the Δ(1232)-resonance region at Q2 = 0.35(GeV/c)2

The beam-helicity asymmetry has been measured simultaneously for the reactions p→epγ and p→epπ ⁰ in the Δ(1232)-resonance region at Q ² = 0.35(GeV/c)². The experiment was performed at MAMI with a longitudinally polarized beam and an out-of-plane detection of the proton. The results are compared with calculations based on dispersion relations for virtual Compton scattering and with the MAID model for pion electroproduction. There is an overall good agreement between experiment and theoretical calculations. The remaining discrepancies may be ascribed to an imperfect parametrization of some γ ^(*) N→πN multipoles, mainly contributing to the non-resonant background. The beam-helicity asymmetry in both channels (γ and π ⁰) shows a good sensitivity to these multipoles and should allow future improvement in their parametrization.