含均三嗪结构苯并噻唑类化合物的合成和晶体结构

以三聚氯氰等为原料合成了一种含均三嗪结构苯并噻唑类化合物（HY），并通过X射线单晶衍射对其结构进行了表征。结果表明：HY属于单斜晶体，空间群为P2（1）／”。晶胞参数为：Z=4，a=1．4278（17）nm，b=1．6690（2）nm，c=1．44842（17）nm，α=90°，β=102．707（2）°，），γ=90°，V=3．3655（7）nm^3；R1=0．0755；wR2=0．2161。     

新型金纳米薄片的制备与生长研究

在表面活性剂PVP的辅助下,利用高温溶剂热法,合成了星形、盾形和多边形等新型Au纳米薄片.对其结构分析表明,Au纳米薄片均为单晶,边长为数微米,厚度约40 nm.这些新型的Au纳米片的形成可以理解为(111)面沿着〈211〉和其他高指数面的生长.不同晶面表面能的理论模拟可以很好解释(111)晶面沿高指数方向生长的可能性.利用堆垛层错引导晶体生长可以很好地解释选区电子衍射中的分数衍射及晶面间距.     

含有{M[P4Mo6O31]2}夹心型磷钼酸盐构筑块的水溶性多酸化合物的合成与表征

采用水热方法合成了一个新的磷钼酸盐化合物，并通过元素分析、红外、紫外、循环伏安和单晶X射线衍射分析等手段对其进行了表征。单晶结构解析结构表明，该化合物的阴离子{Na[Mo₁₂O₂₄(OH)₆(PO₄H)₂(PO₄H_3/2)₂]}^6- 由2 个{Mo₆P₄O₃₁} 单元和一个八面体配位的金属钠离子共价组装形成，具有夹心型结构。该化合物是目前为止获得的第一个含有孤立M[Mo₆P₄O₃₁]₂ 夹心结构的水溶性多钼磷酸盐。该水溶性化合物将会作为一个基本的反应原料和基本构筑单元合成组装出更多结构新颖、性质丰富的新型多钼磷酸盐。     

基于多重散射理论的二维声子晶体带结构计算

二维固体结构声子晶体如平板、板壳在结构材料的减振、降噪方面有广泛的应用,研究二维固体结构声子晶体的禁带特性,对减振、降噪结构材料及声学滤波器的设计有重要的理论指导意义.用声子晶体带结构计算的多重散射理论,计算了二维碳一环氧树脂声子晶体的能带结构.结果表明,将波速较大的碳柱体按正方形周期排列放入到波速较小的环氧树脂中,在布里渊区两个主要方向上出现了完全禁带.     

New crystal structure of molecular complex 1-piperidine carboxylate-piperidinium-H<Subscript>2</Subscript>O studied by X-ray single crystal diffraction

Piperidine absorbs CO2 and H2O in air to form a molecular complex： piperidium-l-piperidinecarboxylate-H2O. The structure of the complex was characterized by X-ray single crystal diffraction. The crystal structure was determined to be triclinic, space group P1^-with a=0.648 6（8） nm, b=0.809 200） nm, c= 1.357 1（16） nm, a=96.96706）°, β =102.506（15）°,γ=104.202 05）°, Z=2. The complex is stabilized via five hydrogen bonds between the three components, N-O electrostatic interaction and O-O interaction （electron transfer） betweenl-piperidinecarboxylate and H2O. Due to electron transference of carbamate ion, the oxygen atom in water molecule is strongly negatively charged and the O-H bond is considerably shorter than that of the free molecule of water. The formation of the molecular complex is a reversible process and will decompose upon heating. The mechanism of formation and stabilization is further investigated herein.     

酸根阴离子和体系的pH值及对水热条件下晶体生长的影响

目的通过调节[Ni(II)(Dipha)(Benzidine)]体系的pH值和改变L-(L-=Cl-,NO3-),研究其在水热条件下对晶体生长的成晶条件。方法通过水热法合成该体系的系列晶体。结果实验表明,水热法合成该体系的系列晶体,pH≈7.0,镍盐(NiL2)选用NiCl2或Ni(NO3)2有利于配合物晶体的形成。结论对于该体系溶液pH≈7.0和选择合适的酸根阴离子盐来提供金属离子有利于配合物晶体的形成。     

TFT-LCD液晶材料焚烧产物及反应过程分析

以TFT-LCD液晶为实验材料,研究了其焚烧失重特征,分析其焚烧产物并对其过程进行推测。结果表明,由多种单体化合物组成的TFT-LCD液晶材料焚烧反应过程主要发生在150～380℃,该过程导致约90%液晶损失;在焚烧过程中液晶材料首先发生分解反应,分解产物生成的先后顺序取决于其单体化合物的主要化学键键能大小;分解过程产生的烃类自由基和芳香族自由基极不稳定,前者进一步分解生成C原子更少的丙烯等烃类,后者会因高温进一步分解乃至脱F,同时自由基团之间重组发生再合成反应;液晶焚烧产生由多种芳香族化合物组成的混合物,焚烧温度高易生成PAHs和HF。TFT-LCD焚烧产物绝大多数是有毒有害物质,不宜进行焚烧处理。     

Nd~(3+)的稳定能与晶场参数及磁交换作用的关系

基于单离子模型,通过对Nd3+磁晶各向异性哈密顿数值的求解,研究了温度趋于0 K时,Nd3+离子稳定能与晶场参数及磁交换作用的关系.结果表明,对于强磁物质(如NdCo5,Nd2Co17,Nd2Fe14B等),Nd3+贡献的稳定能与晶场参数B20近似成正比,而对磁交换作用的变化不敏感.     

Rolling-induced microstructure change in Zr_(65)Al_(7.5)Ni_(10)Cu_(12.5)Ag_5 bulk metallic glass

The microstructures and free-volume evolutions of as-cast and pre-annealed Zr65Al7.5Ni10Cu12.5Ag5 bulk metallic glasses during rolling deformation have been investigated. No phase transformation is detected in the as-cast/rolled specimen. However,the structural stability of the glass against plastic deformation is worse after pre-annealing,indicated by nanocrystallization in preannealed/rolled specimens with large deformation degrees. Moreover,with increasing deformation degree,the free-volume content in a ...     

Preparation of three-dimensionally ordered macroporous perovskite materials

In this paper,we use La0.8Sr0.2MnO3 and La0.7Ca0.2Sr0.1MnO3 as examples to demonstrate a preparation method for threedimensionally ordered macroporous(3DOM) perovskite thermochromic materials.Polystyrene spheres with an average diameter of 220 nm were self-assembled into a three-dimensionally ordered colloidal crystal template.A mixed metal nitrate solution prepared using La(NO3) 3·6H2O,Ca(NO3) 2·4H2O,Sr(NO3) 2,Mn(CH3COO) 2·4H2O and an ethanol precursor was used to fill the interstitial voids of the polystyrene colloidal crystal templates.3DOM La0.8Sr0.2MnO3 and La0.7Ca0.2Sr0.1MnO3 materials were then obtained after the sphere templates were removed via drying and calcination.The results show that the framework of the 3DOM materials can have different thicknesses and pore shrinkage rates by varying the filling times.In addition,the Curie temperatures of the 3DOM and bulk La0.8Sr0.2MnO3 materials can be varied by altering the preparation method.