关于《高聚物的结构与性能》课的教学主线

关于《高聚物的结构与性能》课的教学主线何平笙（中国科学技术大学材料科学与工程系，合肥，２３００２６）《高聚物的结构与性能》课，许多院校也称之为《高分子物理》课。顾名思义，是包括以高聚物为对象的全部物理学内容的课程，往往给人以内容庞杂的印象。加之该学科...     

Antibacterial activity of methylated chitosan and chitooligomer derivatives: Synthesis and structure activity relationships

The purpose of this study was to synthesize series of methylated chitosaccharide derivatives, possessing various degree of methylation, and to determine their structure activity relationship (SAR) with regard to their antibacterial effect against Staphylococcus aureus. Chitosan polymer and chitooligomers were used as starting materials and were methylated by reaction with methyl iodide. Depending on the reaction conditions the degree of N-quaternization ranged from 0% to 74%, with varying degree of N,N-dimethylation, N-monomethylation and O-methylation. More selective N-quaternization could be obtained with protection group strategy. At pH 5.5 the chitosaccharide polymers and their methylated derivatives were active against S. aureus with minimal inhibitory concentration (MIC) ranging from 16 to 512 μg/mL. At pH 7.2 the non-quaternized derivatives were inactive but their highly N-quaternized derivatives showed MIC as low as 8 μg/mL. The chitooligomers, as well as their derivatives, were inactive at both pH’s. The SAR studies revealed that N-quaternization was mainly responsible for the antibacterial effects at pH 7.2, whereas it did not contribute to the antibacterial activity under acidic conditions.     

Zwei neue Metatitanate mit fünffach koordiniertem Titan: CsNaTiO3 und RbNaTiO3

Two New Metatitanates with Five-coordinated Titanium: CsNaTiO₃ and RbNaTiO₃ [1] The new oxides CsNaTiO₃ (I) and RbNaTiO₃ (II) are obtained by heating well grounded mixtures of the binary oxides in Ni-tubes as colourless platelike crystals. I: CsO_0.56, NaO_0.48 and TiO₂, Cs:Na:Ti = 1.1:1.1:1.0; 600°C, 61 d as well as CsO_0.97, NaO_0.48 and Ti₂O₃, Cs:Na:Ti = 1.5:3.0:1.0; 760°C, 27 d. II: RbO_0.52, NaO_0.48 and TiO₂, Rb:Na:Ti = 1.1:1.1:1.0; 750°C, 14 d as well as RbO_0.98, NaO_0.48 and Ti₂O₃, Rb:Na:Ti = 1.5:3.1:1.0; 760°C, 27 d. CsNaTiO₃ (orthorhombic, Cmcm) is nearly isostructural with KNaTiO₃ [2]; a = 601.4(1) pm, b = 1 120.3(1) pm, c = 563.4(1) pm (Guinier-Simon-Data, Z = 4). RbNaTiO₃ (monoclinic, C2/c) is isostructural with KNaTiO₃; a = 590.3(1) pm, b = 1 098.4(1) pm, c = 555.1(0) pm, β = 92.15° (Guinier-Simon-Data, Z = 4). Both structures are determined by using four-circle diffractometer data (CsNaTiO₃: Siemens AED2, 2 896I_o(hkl), MoKα , R = 2.4%, R_w = 2.3%; RbNaTiO₃: Philips PW 1 100, 2 743I_o(hkl), AgKα , R = 9.9%, R_w = 8.9%; additional data see text). The Madelung Part of Lattice Energy (MAPLE), Effective Coordination Numbers (ECoN), Mean Fictive Ionic Radii (MEFIR) and the Charge Distribution in Solids are calculated and discussed.     

对甲基苯乙炔基铁硫配合物(μ-p-CH_3C_6H_4C≡CS)(μ-RS)Fe_2(CO)_6的合成、结构及构象

通过对甲基苯乙炔基溴化镁断裂μ-S_2Fe_2(CO)_6的S—S键可得“开式”中间体(μ-p-CH_3C_6H_4C≡CS)(μ-BrMgS)Fe_2(CO)_6。该中间体与有机卤化物作用生成了11种通式为(μ-p-CH_3C_6H_4C≡CS)(μ-RS)Fe_2(CO)_6的“开式”铁硫原子簇配合物。还确定了某些配合物可能的构象体及其含量比。     

多环麝香的分子结构和香气之间的关系

本文综述了多环麝香的当前进展,并提出了系统的分类方法。对各种多环麝香(茚满型,萘满型,异色满型,氢化引达省型,苊型)香味与分子结构之间关系的研究进行了总结,还作了比较。并描述了多环分子中环上取代基的性质,数量和位置对麝香香味的影响。     

On hydrogen-bonded complexes: the case of (HF)2

The hydrogen fluoride dimer (HF)₂ is the most completely characterized hydrogen bonded species incorporating a donor molecule and an acceptor molecule. We provide a summary of experimental and theoretical information pertinent to the fundamental and harmonic vibrational frequencies, equilibrium geometry and dissociation energiesD _e andD ₀ as well as a brief critical discussion including some new results on the potential function and current best estimates of experimental quantities.     

大功率激光制备a-C和a-C∶H类金刚石膜的光学性能研究

采用大功率高重复频率准分子激光溅射热解石墨靶制备了类金刚石碳膜, 研究了实验条件对类金刚石膜光学性能的影响, 发现氢可以提高膜中sp3键的含量和膜的光学透过率. 在实验参数范围内, 膜的光学性能随着氢压的增加而提高. 根据类金刚石膜的反应沉积机理对上述结果进行了分析、解释.     

镀液中Ce^3＋离子对锡镀层结构缺陷和可焊性的影响

应用荧光分析法、X光电子能谱法(XPS)及正电子湮没寿命谱法(PALS)等研究了从含硫酸铈添加剂的酸性光亮锡镀液获得的锡镀层结构缺陷与可焊性的关系。结果表明,电镀时Ce与Sn不发生共沉积,Ce~(3+)的主要作用是阻化Sn~(2+)的水解和氧化使镀液稳定,因而使锡镀层纯度提高、结构致密、表层氧含量减少,有利于提高镀层的可焊性。当Ce~(3+)浓度控制在3.5g/L左右时,可使镀层结构缺陷较少,可焊性较佳,说明结构缺陷是影响锡镀层可焊性的直接原因。     

The Crystal Structures of Eu5Ge3 and EuIrGe2

Eu₅Ge₃ and EuIrGe₂ were prepared from the elements in tantalum tubes, and their crystal structures were determined from single crystal X-ray data. Eu₅Ge₃ adopts the structure of Cr₅B₃: I4/mcm, a = 799.0(1)pm, c = 1 536.7(1)pm, Z = 4, wR2 = 0.0421 for 669 F² values and 16 variables. The structure of Eu₅Ge₃ contains isolated germanium atoms and germanium atom pairs with a Ge? Ge distance of 256.0 pm. Eu₅Ge₃ may be described as a Zintl phase with the formulation [5 Eu²⁺]¹⁰⁺[Ge]^4?[Ge₂]^6?. Magnetic investigations of Eu₅Ge₃ show Curie-Weiss behaviour above 50 K with a magnetic moment of μ_exp = 7.6(1) μ_B which is close to the free ion value of μ_eff = 7.94 μ_B for Eu²⁺. EuIrGe₂ is isotypic with CeNiSi₂: Cmcm, a = 445.5(2) pm, b = 1 737.4(4) pm, c = 426.6(1) pm, Z = 4, wR2 = 0.0507 for 295 F² values and 18 variables. The structure of EuIrGe₂ is an intergrowth of ThCr₂Si₂-like slabs with composition EuIr₂Ge₂ and AlB₂-like slabs with composition EuGe₂ in an AB stacking sequence. Both slabs are distorted when compared to the symmetry of the prototypes. The Ge? Ge distance of 256.6 pm in the AlB₂-like fragment is comparable to that in Eu₅Ge₃.     

测定晶体结构的系统试差法的研究(II)系统位相超解方程得改进

本文证明了|E(k)E(h-k)|的大小是由结构决定的。与原点无关, 在这种认识的基础上, 提出了用归一化结构振幅|E|估量它的三种模式。特别是通过四位相结构不变量的二级Noighborhood~[1,2]原理解决三位相不变量间的匹配问题而算出的|E(k)E(h-k)|_(QE), 这是在没有位相数据的情况下对它的理想的估量。予期它能改进系统试差法中位相超解方程的功能, 提高测得位相的准确性。