分布耦合系数对线性啁啾光栅色散的影响

本文从光栅反向耦合波方程出发,经相位共轭变换用Runge-Kuta-Gil方法对其数值求解。针对线性啁啾光栅耦合系数变化服从不同的分布,分析了各种分布对光栅反射谱特性和色散特性的影响。     

钢铁表面锌系磷化膜的研究

本文采用ＳＥＭ和ＴＥＭ等测试手段，研究了四功能处理液不同条件下在钢铁表面上形成锌系磷化膜的形貌，晶体结构；采用ＥＤＳ研究了磷化膜的化学成发，通过实验确定了Ｚｎ／Ｐ值在２．１２～３．２０时，磷化膜具有良好的耐蚀性。     

Transferring estimates for zonal convolution operators

_p - , . Ad- .     

Truncation error bounds for modified continued fractions with applications to special functions

Much recent work has been done to investigate convergence of modified continued fractions (MCF's), following the proof by Thron and Waadeland [35] in 1980 that a limit-periodic MCFK(a _n , 1;x ₁), with andnth approximant

液体和非晶态Ni64B36合金结构的从头算分子动力学模拟

运用从头算分子动力学模拟了液体以及猝冷后形成的非晶态Ni₆₄B₃₆合金体系, 得到了它们的对相关函数、结构因子、键对分析方面的结构信息, 与实验结果相当一致; 结果表明, 猝冷得到的合金性质与液体合金性质相似, 为非晶态结构. B原子多数以B—B双原子成键形式分散于Ni原子构成的骨架中. 电子态密度分析表明, Ni 3d电子最活泼, 因此在合金中Ni为活性位. 轨道电荷分析从电子结构角度揭示了在NiB 催化剂中B作为修饰剂的机理.     

Energetic ion bombardment of Ag surfaces by C<Stack><Subscript>60</Subscript><Superscript>+</Superscript></Stack> and Ga<Superscript>+</Superscript> projectiles

The ion bombardment-induced release of particles from a metal surface is investigated using energetic fullerene cluster ions as projectiles. The total sputter yield as well as partial yields of neutral and charged monomers and clusters leaving the surface are measured and compared with corresponding data obtained with atomic projectile ions of similar impact kinetic energy. It is found that all yields are enhanced by about one order of magnitude under bombardment with the C60+ cluster projectiles compared with Ga+ ions. In contrast, the electronic excitation processes determining the secondary ion formation probability are unaffected. The kinetic energy spectra of sputtered particles exhibit characteristic differences which reflect the largely different nature of the sputtering process for both types of projectiles. In particular, it is found that under C60+ impact (1) the energy spectrum of sputtered atoms peaks at significantly lower kinetic energies than for Ga+ bombardment and (2) the velocity spectra of monomers and dimers are virtually identical, a finding which is in pronounced contrast to all published data obtained for atomic projectiles. The experimental findings are in reasonable agreement with recent molecular dynamics simulations.     

The crystal and molecular structure of 1,1,1,3,3,3-hexaphenyl-1,3-disilapropane

Crystals of the title compound H₂C(SiPh₃)₂ are triclinic, space group P$\text{1}$, with a = 9.290(2), b = 12.128(4), c = 16.882(4) Å, α = 62.08(1), β = 106.88(1), γ = 117.28(2)° and Z = 2. The central skeletal angle SiCSi is 128.8(7)°. The structures of the molecules H₂C(SiR₃)₂ (R = H, CH₃, and Ph) are compared and discussed: a simple model for the skeletal geometry of species H₂C(MR₃)₂ is proposed, and tested against experimental data and theoretical calculations.     

Solvent dependence of the 2-naphthyl(carbomethoxy)carbene singlet-triplet energy gap

The solvent dependence of the 2-naphthyl(carbomethoxy)carbene (2) singlet-triplet energy gap has been examined by time-resolved infrared (TRIR) and computational methods. The ground state of 2 changes from the triplet state in hexane to the singlet state in acetonitrile. Preferential stabilization of the singlet carbene is the result of its increased dipole moment in polar solvents. Variable-temperature TRIR experiments provide measurements of the enthalpic and entropic differences between (1)2 and (3)2 and suggest that solvent and geometry effects on the entropy of singlet and triplet carbenes can offset differences arising from spin multiplicity. B3LYP calculations using the polarizable continuum solvation model (PCM) reproduce the general trends in enthalpic differences seen experimentally.     

Underpotential deposition of tin(II) on a gold disc electrode and determination of tin in a tin plate sample

This work describes a study of the underpotential deposition (UPD) of Sn²⁺ on a polycrystalline gold disc electrode using cyclic voltammetry (CV) and chronocoulometry (CC). Sn²⁺ ions showed well-defined peaks from UPD and UPD stripping (UPD-S) in 1 mol/L HCl solutions, while bulk deposition (BD) and BD stripping (BD-S) of the ions were also observed. The measured UPD shifts, E_UPD, between the UPD-S and the BD-S peaks were more than 200 mV. The UPD charge and the surface coverage of tin were measured by CC. A new method for determining Sn²⁺ was therefore developed, based on the excellent electrochemical properties of the Au/Sn UPD system. A plot of the UPD-DPASV (differential pulse anodic stripping voltammetry) signal versus the Sn(II) concentration was obtained for [Sn(II)] of 1.98×10^–7 to 3.64×10^–5 M. The method developed here has been applied to determine the tin in a tin plate sample.     

Efficient synthesis of an imidazole-substituted delta-amino acid by the integration of chiral technologies

Two methods to produce (2S)-5-amino-2-(1-n-propyl-1H-imidazol-4-ylmethyl)-pentanoic acid were investigated. Diastereoisomeric salt resolution, using the quinidine salt, gave the desired intermediate in 98% ee and 33% yield. Asymmetric hydrogenation of various substrates gave high conversions, with up to 83% ee. Integration of these two approaches via asymmetric hydrogenation of a quinidine salt substrate followed by crystallization provided the desired intermediate in 94% ee and 76% yield.