Coexistence of Two Thermally Induced Intramolecular Electron Transfer Processes in a Series of Metal Complexes [M(Cat‐N‐BQ)(Cat‐N‐SQ)]/[M(Cat‐N‐BQ)2] (M=Co,Fe, and Ni) bearing Non‐Innocent Catechol‐Based Ligands: A Combined Experimental and Theoretical Study

The different thermally induced intermolecular electron transfer (IET) processes that can take place in the series of complexes [M(Cat‐N‐BQ)(Cat‐N‐SQ)]/[M(Cat‐N‐BQ)₂], for which M=Co ( 2 ), Fe ( 3 ) and Ni( 4 ), and Cat‐N‐BQ and Cat‐N‐SQ denote the mononegative (Cat‐N‐BQ^?) or dinegative (Cat‐N‐SQ^2?) radical forms of the tridentate Schiff‐base ligand 3,5‐di‐tert‐butyl‐1,2‐quinone‐1‐(2‐hydroxy‐3,5‐di‐tert‐butylphenyl)imine, have been studied by variable‐temperature UV/Vis and NMR spectroscopies. Depending on the metal ion, rather different behaviors are observed. Complex 2 has been found to be one of the few examples so far reported to exhibit the coexistence of two thermally induced electron transfer processes, ligand‐to‐metal (IET^LM) and ligand‐to‐ligand (IET^LL). IET^LL was only found to take place in complex 3 , and no IET was observed for complex 4 . Such experimental studies have been combined with ab initio wavefunction‐based CASSCF/CASPT2 calculations. Such a strategy allows one to solicit selectively the speculated orbitals and to access the ground states and excited‐spin states, as well as charge‐transfer states giving additional information on the different IET processes.     

Fe-ZSM-5 分子筛催化剂上N2O一步氧化苯制苯酚的积炭动力学

 采用等温固定床反应器和热重分析相结合的方法研究了 Fe-ZSM-5 分子筛上 N2O 一步氧化苯制苯酚的积炭行为, 考察了反应时间、温度和原料配比对积炭量的影响. 依据实验现象和积炭物组分分布的气相色谱-质谱分析结果, 提出了 Fe-ZSM-5 分子筛上 N2O 一步氧化苯制苯酚的积炭机理. 结果表明, Fe-ZSM-5 分子筛上的积炭物种主要来源于氧化产物苯酚的深度氧化, 属连串失活. 基于所提出的积炭机理和实验结果, 建立了 Fe-ZSM-5 分子筛催化剂的积炭动力学模型, 统计检验和残差分布检验表明, 所建模型与实验结果相容, 可靠性强.     

Synthesis,Crystal Structure,Vibrational Spectroscopy,and Thermal Behavior of Y[B_2O_3（OH）]_3

The hydroxy yttrium hexaborate,Y[B2O3(OH)]3,has been synthesized under mild hydrothermal conditions at 458 K.The crystal structure was solved and refined from single-crystal X-ray diffraction.It adopts a trigonal space group R3c(No.161) with a = 8.3942(4),c = 20.6484(12) ,V = 1260.03(12) 3,YB6H3O12,Mr = 348.79,Z = 6,Dc = 2.758 g/cm3,F(000) = 1008,μ = 7.015 mm-1,R = 0.0321 and wR = 0.0772.Its crystal structure is made up of six-membered rings,alternating three-connected [BO3(OH)] tetrahedra and planar [BO3] trigonal groups,which are interconnected with each other by sharing their common oxygen corners to form a three-dimensional framework structure with six-membered ring channels that are occupied by the yttrium atoms and run along the c axis.FT-IR,Raman,and TG-DTA results are also presented.     

新型咪唑啉化合物在H_2S/CO_2共存条件下对Q235钢的缓蚀性能

合成了一种新型咪唑啉化合物1-(2-氨基-硫脲乙基)-2-十五烷基-咪唑啉(IM-S),并通过失重法、电化学方法及扫描电镜等研究了IM-S在H2S/CO2共存条件下对Q235钢的缓蚀性能,探讨了其在Q235钢表面的吸附行为.结果显示,IM-S具有较好的抗H2S、CO2腐蚀能力,能同时抑制碳钢腐蚀的阴、阳极反应过程,最高缓蚀效率可达92.74%.缓蚀剂在Q235钢表面呈单分子层吸附,属于以化学吸附为主的混合吸附.最后采用量子化学方法对IM-S的缓蚀机理做了进一步分析.     

高效液相色谱法测定普卢利沙星胶囊的含量

建立高效液相色谱法测定普卢利沙星胶囊含量的方法。采用高效液相色谱法,以0.01mol.L-1盐酸溶液为溶剂,测定波长为280nm。在10—100μg.mL-1浓度范围内,主峰面积与相应的浓度呈良好的线性关系（r=0.9998）。重复测定峰面积平均值为1215.9（n=6）,相对标准偏差为0.7%。平均回收率为99.77%（n=9）,相对标准偏差为0.26%。该方法准确简便、重复性好,可作为普卢利沙星胶囊含量测定的有效方法。     

Slope detection method by modulated speckle patterns

An optical technique for slope detection by using as storing medium a photorefractive BSO crystal is proposed. The technique relays in that a local tilt produced in a diffusing reflective surface can be mapped as a speckle transversal shifting in a plane perpendicular to the optical axis. The volume nature of the storing medium is quite adequate to highlight the speckle volume nature and its associated properties. Experimental results obtained by using a rubber vibrating membrane are presented.     

Raman spectra of the orthorhombic semiconductor compound Cu2SnTe3

The optical phonon spectrum of the semiconductor Cu₂SnTe₃, that crystallizes in the orthorhombic structure with space group Imm2 (), have been studied by measuring unpolarized Raman scattering between 10 and 300 K. The experimental frequencies of the phonon modes observed were compared to those calculated by using simplified lattice dynamical models reported in the literature. From combined analysis of these results together with the factor group analysis of the zone-center vibrational modes, valuable information about these modes was obtained and their possible symmetry was assigned. A₁ modes at 71, 123, 167, 176 and 190 cm⁻¹; A₂ modes 115 and 131 cm⁻¹; B₁ modes at 76, 142 and 152 cm⁻¹; B₂ modes at 89, 100 and 206 cm⁻¹; a overtone at 246 cm⁻¹, and combinations at 218, 270 and 292 cm⁻¹; have been observed in this compound.     

与资本市场收益变动相关的最优再保险策略

本文在假定资本市场变动与保险公司资本收益变动存在相关性的情况下,研究了保险公司最优再保险策略问题.利用HJB-变分不等方程,获得了最优再保险策略和最小破产概率的显示表达式,推广了文献[3]的结果.     

Solving a bi-objective Transportation Location Routing Problem by metaheuristic algorithms

In this work we consider a Transportation Location Routing Problem (TLRP) that can be seen as an extension of the two stage Location Routing Problem, in which the first stage corresponds to a transportation problem with truck capacity. Two objectives are considered in this research, reduction of distribution cost and balance of workloads for drivers in the routing stage. Here, we present a mathematical formulation for the bi-objective TLRP and propose a new representation for the TLRP based on priorities. This representation lets us manage the problem easily and reduces the computational effort, plus, it is suitable to be used with both local search based and evolutionary approaches. In order to demonstrate its efficiency, it was implemented in two metaheuristic solution algorithms based on the Scatter Tabu Search Procedure for Non-Linear Multiobjective Optimization (SSPMO) and on the Non-dominated Sorting Genetic Algorithm II (NSGA-II) strategies. Computational experiments showed efficient results in solution quality and computing time.