含有草酸配体的钼硫(氧)配合物的合成、光谱及晶体结构

草酸是重要的有机配体,它能和许多金属形成配合物,并具有不同的分子结构[。1-3]其中,钼与草酸形成的配合物研究一直是人们关注的焦点。主要有以下原因:1、钼与草酸形成的配合物在结构上形式多样,即使同一组成的配合物,也有不同结构。如K2[MoO3(C2O4)]·H2O[4],由于合成方法不同     

聚合物/层状硅酸盐纳米复合材料的性能

取合物／层状硅酸盐纳米复合材料是近十年发展起来的一类新型材料，即使硅酸盐纳米填料的含量很低，一般在5％（wt）以下，就使该类材料具有许多优良的性能，如杨氏模量，储能模量，热稳定性，气体阻隔性及阻燃性等均有较大的提高。本文综述了该类材料的性能。     

计算机辅助物理实验教学的讨论

本文介绍了计算机网络全面辅助开放式教学模式     

Liquid chromatography tandem mass spectrometry method for determination of bisoprolol in human plasma using d5‐bisoprolol as the internal standard

A simple, reliable and sensitive liquid chromatography tandem mass spectrometry (LC‐MS/MS) protocol was developed and validated for quantification of bisoprolol in human plasma. The sample was pretreated with a simple procedure of protein precipitation and an isotope‐labeled d5‐bisoprolol was used as internal standard. The chromatographic separation was performed on a Capcell Pak C₁₈ MG III column (100 mm × 2.0 mm, 5 µm). The protonated ion of the analyte was detected in positive ionization by multiple reaction monitoring mode. The mass transition pairs of m/z 326.3 → 116.3 and m/z 331.3 → 121.3 were used to detect bisoprolol and the internal standard, respectively. Linearity, accuracy, precision, recovery, matrix effect, dilution test and stability were evaluated during method validation over the range of 0.5–100 ng/mL. The validated method was successfully applied to analyze human plasma samples in a bisoprolol bioavailability study. Copyright © 2009 John Wiley & Sons, Ltd.     

铈对液态共晶Fe—C合金粘度的影响

利用液态高温回转振荡粘度仪分别对共晶Fe-C合金和Fe-C-Ce合金(铈含量分别为0.08%,0.21%,0.59%)的粘度进行了研究.结果表明,在熔点以上至1420℃的范围内,共晶Fe-C合金的粘度在8.30～5.50mPa@s之间变化,而在熔点附近合金粘度的异常现象与液体合金中石墨的形成有关;铈含量大于0.21%明显降低了共晶Fe-C合金的粘度,分析表明,粘度的降低与液态合金自由体积的增加有关.Fe-C-Ce合金的粘度在1340～1370℃范围内出现反常变化,高温差示扫描量热(DSC)实验发现几乎在同样的温度范围存在异常峰位,分析表明这与液体合金内部的Ce-C化合物原子团簇有关.     

含稀土合金锌粉的制备及性能

从酸性氯化物电解液体系电解共沉积Er-Pb-In-Zn合金锌粉，通过析氢及TAFEL极化测定，比较加入稀土后耐蚀性的变化，电解液中加入不同缓蚀剂后合金锌粉耐蚀性变化；通过循环伏安测定合金锌粉制成的电极的循环寿命；以合金锌粉为负极活性材料，组装成LR6实际电池，其放电性能与加汞电池基本相当。     

溶剂浮选缔合物光度法测定痕量硒

根据亚硒酸 ( H2 Se O3)氧化 I-生成 I2 ,I2 与 I-配阴离子 ,I-3 ,配阴离子I-3 与孔雀绿阳离子 ( MG+ )发生离子缔合反应 ,用 N2 气将此缔合物浮选的三元缔合物用光度法测定硒。方法的 ε为 2 .2× 1 0 6L· mol-1· cm-1,RSD为2 .7% ,检出限为 4.7× 1 0 -10 g· m L-1     

Quantum explanation for time—phase relations in radiation of the plasma induced by laser ablating aluminum

1　ＩＮＴＲＯＥＸＰＥＲＩＭＥＮＴＥｘｐｅｒｉｍｅｎｔａｌｓｅｔｕｐｗａｓｓｈｏｗｎｉｎＦｉｇ .1,ｅｘｈａｕｓｔｉｖｅｄｅｓｃｒｉｐｔｉｏｎｓｏｎｔｈｅｓｅｔｕｐａｎｄｔｈｅｐｒｏｃｅｓｓｏｆａｃｑｕｉｒｉｎｇｄａｔａｈａｓａｌｒｅａｄｙ ｇｉｖｅｎｉｎｒｅｌａｔｉｖｅｄｏｃｕｍｅｎｔ[1] ,ｎｏｗｗｅｄｏｅｘｃｅｓｓｉｖｅｄｅｓｃｒｉｐｔｉｏｎｎｏｌｏｎｇｅｒ .2　ＲＥＳＵＬＴＡＮＤＤＩＳＣＵＳＳＩＯＮＲｅｓｕｌｔ:ｅａｒｌｉｅｒｓｐｅｃｔｒａｏｆｔｈｅｐｌａｓｍａｒａｄｉａｔｉｎｇｗｅｒｅｓｈｏｗ…     

Bernstein型算子线性组合的同时逼近等价定理

本文建立了 Bernstein算子及 Bernstein-Kantorovich算子线性组合的同时逼近的正、逆定理 ,并 建立了等价关系 .     

Computer simulations and analysis of structural and energetic features of crystalline cage energetic compound: 2, 4, 6, 8, 12‐pentanitro‐10‐(3, 5, 6‐trinitro (2‐pyridyl))‐2, 4, 6, 8, 12‐hexaazatetracyclo [5.5.0.03,11.05,9]dodecane

First principles molecular orbital and plane‐wave ab initio calculations have been used to investigate the structural and energetic properties of a new cage compound 2, 4, 6, 8, 12‐pentanitro‐10‐(3, 5, 6‐trinitro (2‐pyridyl))‐2, 4, 6, 8, 12‐hexaazatetracyclo [5.5.0.0^3,11.0^5,9]dodecane (PNTNPHATCD) in both the gas and solid phases. The molecular orbital calculations using the density functional theory methods at the B3LYP/6‐31G(d,p) level indicate that both the heat of formation and strain energy of PNTNPHATCD are larger than those of 2, 4, 6, 8, 10, 12‐hexanitro‐2, 4, 6, 8, 10, 12‐hexaazatetracyclo [5.5.0.0.0] dodecane (CL‐20). The infrared spectra and the thermodynamic property in gas phase were predicted and discussed. The calculated detonation characteristics of PNTNPHATCD estimated using the Kamlet–Jacobs equation equally matched with those of CL‐20. Bond‐breaking results on the basis of natural bond orbital analysis imply that C–C bond in cage skeleton, C–N bond in pyridine, and N–NO₂ bond in the side chain of cage may be the trigger bonds in the pyrolysis. The structural properties of PNTNPHATCD crystal have been studied by a plane‐wave density functional theory method in the framework of the generalized gradient approximation. The crystal packing predicted using the Condensed‐phase Optimized Molecular Potentials for Atomistic Simulation Studies (COMPASS) force fields belongs to the Pbca space group, with the lattice parameters a = 20.87 Å, b = 24.95 Å, c = 7.48 Å, and Z = 8, respectively. The results of the band gap and density of state suggest that the N–NO₂ bond in PNTNPHATCD may be the initial breaking bond in the pyrolysis step. As the temperature increases, the heat capacity, enthalpy, and entropy of PNTNPHATCD crystal all increase, whereas the free energy decreases. Considering that the cage compound has the better detonation performances and stability, it may be a superior high energy density compound. Copyright © 2015 John Wiley & Sons, Ltd.