Structures and stability of Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>C and Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>N clusters

We report results of the atomic and electronic structures of Al₇C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is found to be the one in which carbon atom occupies an interstitial position in Al₇ cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al₇C^- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al₇C^- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al₇N which has the same number of valence electrons as in Al₇C^- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al₇N)₂ to study interaction between magic clusters. Received 28 July 2001     

Spray Freeze-drying – The Process of Choice for Low Water Soluble Drugs?

Most of the novel highly potent drugs, developed on the basis of modern molecular medicine, taking into account cell surface recognition techniques, show poor water solubility. A chemical modification of the drug substance enhancing the solubility often decreases the pharmacological activity. Thus, as an alternative an increase of the solubility can be obtained by the reduction of the size of the drug particles. Unfortunately, it is often difficult to obtain micro or nanosized drug particles by classical or more advanced crystallization using supercritical gases or by milling techniques. In addition, nanosized particles are often not physically stable and need to be stabilized in an appropriate matrix. Thus, it may be of interest to manufacture directly nanosized drug particles stabilized in an inert hydrophilic matrix, i.e. nanostructured and nanocomposite systems. Solid solutions and solid dispersions represent nanostructured and nanocomposite systems. In this context, the use of the vacuum-fluidized-bed technique for the spray-drying of a low water soluble drug cosolubilized with a hydrophilic excipient in a polar organic solvent is discussed. In order to avoid the use of organic solvents, a special spray-freeze-drying technique working at atmospheric pressure is presented. This process is very suitable for temperature and otherwise sensitive drugs such as pharmaproteins.     

一类潜热型功能液固两相流体的定压比热研究

应用两相流与热物理理论，严格推导出一类潜热型功能液固两相流体的定压比热计算公式．     

激光诱导荧光探测水体中溶解有机物浓度

用Nd∶YAG激光器的三倍频355 nm光作为激发光源,根据激光诱导荧光(LIF)方法激发并探测污染水体的荧光光谱.通过对荧光光谱的分析处理研究归一化荧光强度,即450 nm处水中溶解有机物(DOM)峰与405 nm处水的拉曼峰的比值,反演溶解有机物浓度.用商品腐殖酸和去离子水配置成已知浓度的溶液代替标准DOM溶液进行标定,得到回归方程.结果证明,DOM的归一化荧光强度与水体中DOM浓度有较好的线性关系,因此LIF方法是对大面积水域水质进行动态遥测的较理想方法.     

PTC热敏电阻的现状与发展趋势(续一)

基于对1995年以来,国内外PTC热敏电阻的研究,介绍了PTC热敏电阻用原料(BaCO3、TiO2、BaTiO3、SrCO3、PbO、Pb3O4、SrTiO3、PbTiO3、Y2O3、Nb2O5、CaCO3、SiO2等);材料(BaTiO3系、V2O3系及高分子);生产技术(瓷粉制造、烧成、芯片制造、质量评定、理化分析、片式PTC生产);重点产品(消磁、马达启动、限流及加热等用)以及基础研究(相变应力模型、表面势垒模型)等方面的现状及今后的发展趋势。     

Linear and nonlinear optical susceptibilities of orthorhombic rare earth molybdates RE2(MoO4)3

The dielectric responses (i.e. the refractive indices and the second order nonlinear susceptibilities) of all orthorhombic rare earth molybdates have been studied on the basis of the relationship between dielectric responses and the average atomic number of constituent atoms of crystals. Both the linear and second order nonlinear optical responses at 1.064 μm decrease with increasing atomic number from La to Lu.     

Single‐Source Precursors For Synthesizing Bifunctional Periodic Mesoporous Organosilicas

A new class of bifunctional periodic mesoporous organosilicas (PMOs) composed of organosilicate building blocks with two different silicon sites have been synthesized from the single‐source bifunctional organosilica precursors tris(triethoxysilylethyl)ethoxysilane and bis(triethoxysilylethyl)diethoxysilane, respectively denoted MT³‐PMO and DT²‐PMO. The synthesis of these PMOs is achieved by the co‐assembly of a triblock‐copolymer Pluronic P123 template with the bifunctional organosilica precursor under acid‐catalyzed and inorganic‐salt‐assisted conditions. After template removal through solvent extraction, the MT³‐PMO and DT²‐PMO so obtained show well‐ordered mesopores and display large pore diameters (6–7 nm) and pore volumes (0.6–0.8 cm³ g^–1) with a narrow pore‐size distribution and high surface areas (700–800 m³ g^–1).     

Highly Efficient Orange and Green Solid‐State Light‐Emitting Electrochemical Cells Based on Cationic IrIII Complexes with Enhanced Steric Hindrance

Highly efficient orange and green emission from single‐layered solid‐state light‐emitting electrochemical cells based on cationic transition‐metal complexes [Ir(ppy)₂sb]PF₆ and [Ir(dFppy)₂sb]PF₆ (where ppy is 2‐phenylpyridine, dFppy is 2‐(2,4‐difluorophenyl)pyridine, and sb is 4,5‐diaza‐9,9′‐spirobifluorene) is reported. Photoluminescence measurements show highly retained quantum yields for [Ir(ppy)₂sb]PF₆ and [Ir(dFppy)₂ sb]PF₆ in neat films (compared with quantum yields of these complexes dispersed in m‐bis(N‐carbazolyl)benzene films). The spiroconfigured sb ligands effectively enhance the steric hindrance of the complexes and reduce the self‐quenching effect. The devices that use single‐layered neat films of [Ir(ppy)₂sb]PF₆ and [Ir(dFppy)₂sb]PF₆ achieve high peak external quantum efficiencies and power efficiencies of 7.1 % and 22.6 lm W^–1) at 2.5 V, and 7.1 % and 26.2 lm W^–1 at 2.8 V, respectively. These efficiencies are among the highest reported for solid‐state light‐emitting electrochemical cells, and indicate that cationic transition‐metal complexes containing ligands with good steric hindrance are excellent candidates for highly efficient solid‐state electrochemical cells.     

Radiochemical proton activation analysis for the determination of cadmium and lead in sediment reference materials

Proton activation analysis was used for the determination of cadmium and lead in three sediment reference materials. The method is based on the^111,112Cd(p, xn)¹¹¹ In and the^206,207,208Pb(p, xn)²⁰⁶Bi reactions.¹¹¹In and²⁰⁶Bi were chemically separated by anion exchange. The results obtained were taken into account for the certification of the materials and are in the excellent agreement with the certified values.