Tb^3＋配合物的电子振动光谱研究

采用时间分辨荧光光谱系统测量了几种稀土Ｔｂ３＋配合物的＾７Ｆ６－＾５Ｄ４电子跃迁的激发光谱，同时测量了与该跃迁及配合物中配位基团的相关的电子振动光谱。结合电子振动跃迁的理论分析，研究了这些电子振动光谱的强度和位置的特征。及其与Ｔｂ＾３＋周围配位情况的关系，表明电子振动光谱有可能用作稀土在其梧合物或在生物分子中结合位置的微结构光谱探针。     

Organotin(IV) complexes of thiohydrazones: synthesis, characterization and antifungal study

Some new organotin(IV) complexes with salicylaldehyde aniline-N-thiohydrazone (L1) and cinamaldehyde aniline-N-thiohydrazone (L2) of the type (p-ClC6H4)3Sn[L] Cl and (p-ClC6H4)2Sn[L]Cl2 have been synthesized (where L = L1 and L2). The complexes and ligands were characterized by elemental analysis and spectral (UV-vis, IR and 1H NMR) studies. In all the complexes, ligands act as bidentate, coordination through sulphur and azomethane nitrogen. Complexes are 1:1 metal ligands complexes. Antifungal studies of some complexes against Rhizoctonia bataticola fungal strain have been carried out.     

Electrochemical Behavior and Redox Switch Properties of [Zn(dmit)_2]~(2-)

The redox behavior of [Zn(dmit)2]2- and its electrodeposited film were investigated by cyclic voltammetry, and the Ⅰ-Ⅴ properties of the electrodeposited film were measured. The results show that [Zn(dmit)2]2- possesses good redox switch properties which exhibit good repeatability. It could be considered as a new material for molecular switch and memory.     

The spectral radius of the adjacency matrix of benzenoid hydrocarbon

The variational treatment of the spectral radius of the adjacency matrix, based on the Rayleigh's quotient and the steepest descent method is presented. The resulting formula, valid for the benzenoid hydrocarbons, gives accurate values for benzene and the linearly condensed benzenoid system of infinite length.     

Meso-Chloro-Substituted Indodicarbocyanines: Aggregate Behavior,Electrochemical Properties,Crystal Structure and Photographic Performance

The correlation of photographic performance of meso-chloro-substituted indocarbocyanine dyes having different substituent groups with their electrochemical properties and aggregation behavior in solutions and crystals and on emulsion grains was investigated. The experimental results indicate that the dyes form easily H-rather than J-aggregates no matter what they arc on AgBrI emulsions or in solutions and crystals. All the lowest vacant electronic energy level of the dyes, E_LV, are much lower than the energy of conduction band of AgBrI (E_CB)(-3.23 ev), so it is very easy for the dyes to trap electrons from the surface of silver halide, leading to strong desensitization by the electron-trapping process. The desensitization by the dyes depends fundamentally on their amount and structure, especially on the nature of substituents.     

Synthesis,crystal structure and characterization of manganese(III) complex containing a tetradentate Schiff base

N,N′-bis((2-hydroxyphenyl)(phenyl)methylidene)propane-1,2-diaminato-N,N′,O,O′)-(nitrato-O)-manganese(III) methanol solvate ([Mn(C₂₉H₂₄N₂O₂)(NO₃)CH₃OH]) was synthesized and characterized by FTIR, UV–Vis, TG–FTIR, TG/DSC, molar conductivity, magnetic moment measurement and single crystal X-ray analysis. In the structure, the Mn(III) ion adopts a distorted octahedral geometry with two nitrogen and two oxygen atoms from the Schiff base ligand in the equatorial plane, and the nitrate ion and methanol molecule in the axial position. The effects of organic solvents of various polarities on the UV–Vis spectra of the ligand and complex were investigated. The manganese(III) complex is easily dissolved in organic polar aprotic solvents and has moderate solubility in organic polar protic solvents.     

Problem-independent nonlinear switch for newly designed WENO-BO-Z scheme

The uniformly third-order WENO-BO-Z scheme has been proposed previously in an attempt to restore third-order accuracy at the second-order critical point via the reduction of nonlinear dissipation followed by the modification of nonlinear weights as well as to improve the intermediate bandwidth property of the linear optimal stencil of the classical WENO-JS scheme with respect to both dispersion and dissipation. However, a problem-dependent nonlinear switch was employed to turn on in the intermediate range of wavenumbers to avoid unnecessary nonlinear adaption of the WENO scheme and was mainly dependent on the trial-and-error threshold value of a switch parameter. In order to avoid the problem-dependent nature of this switch, a problem-independent nonlinear switch is suggested and investigated in this work. Benchmark problems, ranging from non-broadband to broadband, are solved using the WENO-BO-Z scheme, and a comparison of the suggested switch with the problem-dependent switch is made.     

纯钨红外光谱发射率特性研究

光谱发射率是一个重要的热物性参数,在辐射测温、热传输计算等领域有着广泛的应用。钨作为一种重要的金属,关于其光谱发射率的研究报道较少。利用黑体炉、傅里叶红外光谱仪、加热装置和光学系统搭建了一套能量对比法光谱发射率测量装置,该装置能够测量3~20μm的光谱发射率,测量装置的整体不确定度优于5%。利用该装置测量了纯钨在4个温度点(573, 673, 773和873 K)的法向光谱发射率,重点探讨了氧化、温度、波长和加热时间对纯钨光谱发射率的影响。研究结果表明:纯钨在表面未氧化的情况下,光谱发射率在几个温度点的变化规律基本一致,且数值相差较小,而当其表面发生氧化后光谱发射率迅速增加,在某些波长处出现了强烈的振荡。表面未氧化时纯钨的光谱发射率受温度的影响较小,随着温度的增加仅出现微小的增加,但是当表面发生氧化后,随温度的升高而迅速增大。纯钨的光谱发射率整体上随着波长的增加而减小,但是当表面发生氧化后,由于表面氧化膜与钨金属基底发生干涉效应,在4, 9, 12.5和16.5μm处均出现了峰值。在573和673 K,纯钨的光谱发射率随着加热时间的增加无明显变化。然而,随着温度的升高,在773和873 K时,光谱发射率随着加热时间增加而增大,在773 K时光谱发射率随加热时间的增加增幅较大,因为在该温度点,纯钨表面刚开始发生氧化,氧化速率较大,在873 K时光谱发射率随加热时间的增加增幅较为平缓,并且随着加热时间的增长呈现稳定的趋势。综上,纯钨的光谱发射率在温度较低和表面未氧化时较为稳定。随着温度的升高,当表面发生氧化后,光谱发射率迅速增大,并且在多个波长位置出现了强烈的振荡。由此可见,纯钨光谱发射率受温度、波长、加热时间的影响较大,在实际应用过程中,特别是在辐射测温过程中,如果把纯钨的光谱发射率看做常数将会带来较大的测量误差。该研究将进一步丰富钨的光谱发射率数据,并为其在科学研究和应用中提供数据支持。