一种自制的蒸馏水器保护装置

本装置由检测、控制、执行、报警和电源五部分组成。检测部分采用了靠正常水位导通的两根信号线。当蒸馏水器在正常运行时遇停水,本装置可立即实现断电保护,同时发出声光报警,有效防止干烧,杜绝事故发生。本装置制作简便,元器件均为市售,成本低廉,性能可靠。     

自旋交叉配合现象与分子电子器件

自旋交叉配合物在热、压力或光诱导自旋交叉现象的同时会伴随着其它一些协同效应，比如配合物颜色的改革、存在着大的热滞后效应等，这些协同效应是单个分子或分子集合体作为热开关、光开关和信息存储元件材料的基础。因此，自旋交叉配合物是开发新型的热开关、光开关和信息存储元件材料的理想分子体系。本文概述了自旋交叉现象的研究历史、现状和未来的发展趋势。讨论了影响配合物自旋交叉性质的各种内在的和外部的因素，总结了目前用于研究自旋交叉现象的各种现代测试技术。最后，展望了自旋交叉配合物在分子电子器件方面的应用前景。     

N-(邻-氯苯基)氨基乙酸铜(Ⅱ)和N-(邻-甲基苯基)氨基乙酸铜(Ⅱ)的合成、晶体结构和电子结构

合成了N-(邻氯苯基)氨基乙酸铜(Ⅱ)和N-(邻甲基苯基)氨基乙酸铜(Ⅱ)的单晶体,测定了它们的晶体结构,并对其电子结构进行EHMO计算。N-(邻氯苯基)氨基乙酸铜(Ⅱ)属单斜晶系,空间群P2₁/a.a=8.786(4),b=7.777(2),c=11.956(2)Å,β=96.01(3)°,V=812.4ų,Z=2,D_c=1.77g·cm^-3;N-(邻甲基苯基)氨基乙酸铜(Ⅱ)属单斜晶系,空间群P2₁/a,a=8.925(6),b=7.973(8),c=11.856(9)Åβ=96.23(6)°,V=838.6Å,Z=2,D_c=1.55g·cm^-3。两配合物互为异质同晶。配合物中,铜原子为分子的对称中心,并与两个配位体的两个羧基氧和两个氨基氮原子形成四方形配位结构,平均Cu-O键长为1.902Å,Cu-N为2.050Å。量子化学计算表明,在配位键的形成中,铜原子的d轨道的作用均不大,但配体中苯环上取代基的性质对Cu-N键强度有一定影响。     

Comparison of procedures for correction of matrix interferences in the multi-element analysis of soils by ICP-AES with a CCD detection system

Three procedures, matrix matching, plasma optimisation and single-point standard-addition, have been evaluated to ascertain the best procedure for simultaneous multi-element analysis of industrial soils by ICP-AES with CCD detection. A standard reference material, CRM143 from the Bureau Communautaire de Réference (BCR), has been analysed for Cd, Cr, Cu, Mn, Ni and Pb using the three different matrix interference correction procedures. All three procedures give comparable results which are in good agreement with the BCR values, except for Cr. The single-point standard addition procedure was chosen, on the basis of economy and ease of implementation, to correct for matrix interferences in the determination of Cd, Co, Cr, Cu, Mn, Mo, Ni, Pb, Sn and V in soil samples collected from an industrial site in England. Concentrations of some of the elements were found to vary greatly with sampling depth. For example, the concentration of Mn, determined using the atomic line at 279.920 nm, increased from 426 ± 3 g/g at a depth of 18–28 cm to 5996 ± 144 g/g at 60–85 cm.     

8-羟基喹啉对甲基苯酚合锌配合物的合成及光致发光和电致发光性能

有机电致发光 ( EL )技术作为一种有着广阔应用前景的显示技术 ,自 1 987年 [1] 以来已获得了空前迅速的发展 .部分发光器件的亮度、效率和寿命已经达到或接近实用化的程度 .许多有机化合物 [2～ 5] ,包括小分子和聚合物 ,已被用于制备有机 LEDs.应用于有机 EL的化合物很多 ,这为优化和筛选优秀的 EL材料提供了基础 .以 8-羟基喹啉铝为代表的有机金属配合物是一类重要的有机 EL材料 ,这类材料荧光效率高、易于提纯且性质比较稳定 .目前应用于有机 EL金属配合物的发光材料大多配位数均为偶数 ,四配位的 8-羟基喹啉锌配合物 ( Znq2 ) [6…     

Enhanced electrodeposition of indium hexacyanoferrate thin films through improved plating solution stability

An ordinary plating solution for indium hexacyanoferrate (InHCF) thin film deposition, mainly composed of equal concentrations of In³⁺ and [Fe(CN)₆]^3–, usually forms precipitates rapidly when either concentration is higher than few millimolar. This contributes to the plating solution's instability. Moreover, electrodeposited capacities are limited accordingly. In this work, the plating solution's stability and the electrodeposition of InHCF were greatly enhanced by adding a large amount of K⁺ and/or H⁺. It was found that a 10-mM plating solution added with 1 M HCl and 1 M KCl could be stored as fresh over a one-week period, whereas an unmodified plating solution became useless within a couple of minutes. Also, such cationic additions, especially adding H⁺, increased the electrodeposited capacity ca. 18 times at least, as compared with that obtained from the unmodified plating solution. Furthermore, related enhancing mechanisms were proposed and verified. To sum up, this study offers a means for better InHCF electrodeposition and should promote the applications of InHCF films. Electronic Publication     

酰基吡唑啉酮双席夫碱配合物的电子结构、成键性与生物活性

The electronic structures of N,N′-bis[(1-phenyl-3-methyl-5-oxo-4-pyrazolinyl) α-furylmethylidyne]ethylendii- mine (and -o-phenylendiimine), and their complexes of transition metals M (M=Ni, Cu, Co, Pd, Pt) have been calculated by B3LYP method of DFT. Their geometries and bonding characters are discussed, and the relationship between their bioactivities and electronic structures are also discussed from the calculated results of electronic populations and frontier orbital energies.     

2-三氰基乙烯基蒽及其旋转异构体的量子化学研究

用量子化学从头算方法 ,在RHF/STO - 3G水平上 ,对 2_三氰基乙烯基蒽 (2_TCVA)分子进行了理论计算 ,优化得到了它的平衡几何构型 ,并计算了它的谐振动频率 .结果表明 :2_TCVA存在两种旋转异构体 :2_TCVA(1)和 2_TCVA(2 ) ,2_TCVA(2 )的总能量比 2_TCVA(1)的略高 .在PM3/CIS水平上计算了它们的电子光谱 ,得到了由基态到各激发态的垂直跃迁能和相应的振子强度 .研究表明 :2_TCVA(1)和 2_TCVA(2 )的强度最大的吸收波长分别为 2 4 9.72nm和 2 89.4 1nm ,2_TCVA(2 )的强度最大的吸收波长比 2_TCVA(1)的要长 .计算结果与实验结果符合得较好     

Structure and electronic transport properties of the Misfit layer compound (LaSe)1.14(NbSe2)2, „LaNb2Se5”︁

The new misfit layer compound (LaSe)_1.14(NbSe₂)₂ has been synthesized from the elements at 1050- and its structure has been determined by a composite approach. The structure has an alternating stacking sequence of [LaSe] and two [NbSe₂] layers along the c direction. The misfit of the two different layers is occurring along the a direction: a₁(LaSe)=6.0191 Å and a₂(NbSe₂)=3.4372 Å therefore yielding a ratio of 1.751 which is very close to 7/4. An investigation of electrical resistivity was done. The crystal shows superconducting properties at 5.3 K.     

The thermal properties of complex, nanophase-separated macromolecules as revealed by temperature-modulated calorimetry

Linear, flexible macromolecules are long recognized as phase structures limited to micrometer and nanometer dimensions with covalent bonds crossing the interfaces. This special, usually non-equilibrium structure leads to unique properties and a multitude of changes for different thermal and mechanical histories. Analyses that enable the study of these properties are temperature-modulated calorimetry and related techniques which allow the separation of equilibrium and non-equilibrium responses. Research on these topics is reviewed and combined to a model for the nanophases. The new approach to the complex nanophase systems yields a better understanding of the relationship between structure and thermodynamic properties. Special emphasis is placed on the size and surface effects on the glass and melting transitions, the development of rigid-amorphous phases, and the reversible melting within the globally metastable structure.