芳氧基钇配合物催化合成以杯芳烃为核的星形聚己内酯

合成了两种杯芳烃的衍生物(2a,2b),并作为大分子引发剂在三(2,6-二叔丁基-4-甲基-苯氧基)钇[Y(DBMP)3]的催化下,引发己内酯的可控开环聚合,制备了一系列以杯芳烃为核的星形聚己内酯.1H-NMR和SEC研究表明,在一定分子量范围内,以对叔丁基杯[4]芳烃衍生物(2a)为核的星形聚己内酯是四臂且分子量可控的较窄分布星形聚合物,而以对叔丁基杯[6]芳烃衍生物(2b)为核的星形聚己内酯为结构不够明确的星形聚合物.DSC分析表明星形聚己内酯的熔点、结晶温度和结晶度随分子量的增加而增加,且低于相近分子量的线形聚己内酯.POM观察聚己内酯的等温结晶形态,发现星形聚己内酯和相近分子量的线形聚己内酯相比,前者具有不规则的球晶形态和较慢的结晶速度,而后者表现出较快的结晶速度和规则的球晶形态.     

Synthesis and Crystal Structure of an Infinite 1D Zigzag Chain Compound (dimbH~+)(ClO_4~-) and Its Comparison with (dimb)2H_2O (dimb = 1,3-Di(imidazol-1-ylmethyl)-5-methylbenzene)

1 INTRODUCTION Recently the rational design and preparation of novel functional materials are one of the highlights in supramolecular chemistry and crystal engi- neering[1]. How to control the molecular structures and topology in the process of self-assembly has attracted extensively attention[2]. To date, a lot of complexes containing well-designed bidentate[3～6], tripodal[7, 8] and hexadentate[9] imidazole moiety ligands have been synthesized by chemists. Some of them have interestin…     

聚合凝胶法制备TiO2凝胶的实验研究

本文采用聚合凝胶法制备TiO2凝胶，实验以钛酸四丁酯为前驱物和冰醋酸为整合剂，研究了不同条件下（加水量，加酸量，温度，溶剂种类，溶剂用量以及环境条件等）TiO2凝胶的制备过程，得出了最佳工艺条件，并对胶凝过程机理进行了基本的探讨。     

Syntheses and Crystal Structures of Two New One-dimensional Double Hydrogen-bonding-chain Complexes [Ni(bipy)_2Cl]·ClO_4 and [Zn(bipy)_2Cl]·BF_4

Two new transition metal complexes, [Ni(bipy)2Cl]·ClO4 (bipy = 2,2'-bipyridine) 1 and [Zn(bipy)2Cl]·BF4 2, have been synthesized and characterized by single-crystal X-ray diffraction analysis. Both 1 and 2 crystallize in monoclinic space group P21/n with Z = 4. For 1, a = 10.776(1), b = 12.067(1), c = 16.146(2) , β = 93.021(2)o, V = 2031.9(4) 3, Mr = 505.98, Dc = 1.654 g/cm3, μ = 1.255 mm–1, F(000) = 1032, the final R = 0.0406 and wR = 0.1002 for 3983 observed reflections with I > 2σ(I). For 2, a = 10.758(4), b = 12.058(4), c = 16.135(5) , β = 104.57(1)o, V = 2025.7(12) 3, Mr = 500.00, Dc = 1.639 g/cm3, μ = 1.396 mm–1, F(000) = 1008, the final R = 0.0470 and wR = 0.1237 for 3759 observed reflections with I > 2σ(I). The crystal structures of 1 and 2 are isostructural with very similar supramolecular structures. A one-dimen-sional zigzag double hydrogen-bonding-chain is generated by the intermolecular M-bipy ···anion···bipy- M hydrogen bonding interactions between the chelating ligands of bipy and anion.     

First-Principle Calculations for Thermodynamic Properties of LiBC Under High Temperature and High Pressure

The thermodynamic properties of LiBC are investigated by using the full-potential linearized muffin-tin orbital method (FP-LMTO) within the frame of density functional theory (DFT) and using the quasi-harmonic Debye model. The dependencies of the normalized lattice parameters a/a0 and c/c0, the ratio (c/a)/2, the normalized primitive volume V/V0 on pressure and temperature are successfully obtained. It is found that the interlayer covalent interactions (Li-B bonds or Li-C bonds) are more sensitive to temperature and pressure than intralayer ones (B-C bonds), as gives rise to the extreme lattice anisotropy in the bulk hcp LiBC.     

棕色环实验的目视法和紫外可见光谱法研究*

在遵循实验室废弃物绿色处理的“减量”原则基础上,对硝酸根离子的鉴定实验——棕色环实验从试剂用量,试管直径及类型、亚铁盐的种类和干扰离子等多方面进行了研究,同时结合紫外可见光谱法研究了棕色环物质的稳定性。发现试剂用量,试管直径及NO^-₂、I^-、SO^2-₃等离子的存在对棕色环的形成有一定影响。在优化后的实验条件下,可明显观察到棕色环的形成。同时发现棕色环物质在302,450,587 nm处有吸收。实验结果运用到教学中效果良好。     

股骨近端防旋髓内钉治疗高龄股骨转子间骨折

因子模型在刻画因子之间的相互关系以及因子与观测变量之间的关联性具有重要作用.在实际应用中,观测数据往往呈现出时序变异多峰、偏态等特性.本文将经典的潜变量模型延伸到非齐次隐马尔可夫潜变量模型,建立了极大似然统计分析程序.经验结果展示所建立的统计程序是有效的.     

改进的QuEChERS结合超高效液相色谱-串联质谱法快速测定地表水中双酚类物质

建立了同时测定地表水中8种双酚类物质(BPs)的超高效液相色谱-串联质谱(UPLC-MS/MS)分析方法.方法 基于QuEChERS处理技术,选用乙酸乙酯为提取剂,从基质效应(ME)和萃取回收率(RE)两方面对过程效率(PE)进行优化,确定了50 mg N-丙基乙二胺(PSA)和50 mg石墨化炭黑(GCB)混合吸附剂...     

精确覆盖问题的加权分治算法

精确覆盖问题是组合优化中经典的NP-Hard问题之一,其在诸多领域具有广泛的应用价值。本文首先研究了精确覆盖问题的数学性质,并根据数学性质提出相应的分支降阶规则以缩小问题的规模;接着设计了一个基于分支降阶的回溯算法求解该问题;然后运用常规技术分析得出该精确算法的时间复杂度为O(1.4656^k);最后运用加权分治技术对该算法的时间复杂度进行分析,将该算法的时间复杂度降为O(1.3842^k)。文章最后通过一个示例进一步阐述该算法的原理,并与其他精确算法进行了对比分析,研究结果表明该算法是可行的,也是有效的。     

具有时间与位置相关的两类平行机排序问题

研究带有维修时间限制的时间和位置效应平行机排序问题,涉及同型机和非同类机两种机器类型.工件的实际加工时间同时受到位置效应和时间效应影响,且机器具有维修限制.目标函数由机器负载,总完工时间与总等待时间组成.非同类机情形下,通过将排序问题转化为指派问题,给出多项式时间算法,其算法的时间复杂度为O（n^k+2/（k-1）!）.同型机情形下通过转化目标函数,使用匹配算法得出排序问题的多项式时间解,其时间复杂度为O（（2n+m+n log n）n^k-1/（k-1）!）.