Crystallographic report: Diiodo[tris(2‐pyridyl)amine]mercury(II), [(C5H4N)3N]HgI2

In mononuclear HgI₂[(C₅H₄N)₃N], mercury is tetrahedrally coordinated by two nitrogen atoms of a tris(2‐pyridyl)amine ligand and two iodides. The coordination moieties are connected by weak intermolecular Hg(II)···I interactions to give a one‐dimensional structure. Copyright © 2003 John Wiley & Sons, Ltd.     

掺杂两种荧光染料的有机红光电致发光器件

制作了掺杂rubrene和4-(dicyanomethylene)-2-t-butyl-6-(1,1,7,7-tetramethyljulolidyl-9,enyl)-4H-pyran(DCJTB)两种荧光染料的红光有机电致发光器件。N,N’-diphenyl-N,N’-bis(1-naphthyl)-(1,1’-biphenyl)-4,4’-diamine(NPB)和掺杂的Tri-(8-hydroxyquinoline)aluminum(Alq3)分别作为空穴和电子传输层。我们发现掺rubrene和DCJTB的器件性能与只掺DCJTB的器件性能相比有所提高。器件性能的改善是因为掺入的rubrene能够促进从Alq3到DCJTB的能量转移。根据荧光衰减曲线,计算出从Alq3到DCJTB、从Alq3到rubrene以及从rubrene到DCJTB的能量转移速率分别为1.04×109,3.89×109,2.79×109s-1。可以看出能量通过rubrene从Alq3到DCJTB的转移速率是能量直接从Alq3到DCJTB的2.7倍。     

Collaborative distributed decision making for large scale disaster relief operations: Drawing analogies from robust natural systems

One of the most ignored, but urgent and vital challenges confronting society today is the vulnerability of urban areas to extreme events. Current organization of response systems, predominantly based on a command and control model, limits their effectiveness and efficiency. Particularly, in decision‐making processes where a large number of actors may be involved. In this article, a new distributed collaborative decision‐making model is proposed to overcome command and control limitations encountered in stressful, hostile, chaotic, and large‐scale settings. This model was derived by borrowing concepts from the collective decision making of honeybees foraging, a successful process in solving complex tasks within complex settings. The model introduced in this article was evaluated through differential equations, i.e., continuous analysis, and difference equations, i.e., discrete analysis. The most important result found is that the best available option in any large‐scale decision‐making problem can be configured as an attractor, in a distributed and timely manner. We suggest that the proposed model has the potential to facilitate decision‐making processes in large‐scale settings. © 2005 Wiley Periodicals, Inc. Complexity 11:28–38, 2005     

Labile Interactions Defined in Crystalline Metal Complexes

The problems involved in identifying and quantifying labile interactions considered to influence complex compound structures are highlighted through the assessment of four different families of metal complexes for which extensive crystallographic data are available. Modification of the charge distribution within a ligand molecule as a result of coordination is one factor with a number of ramifications. A detailed analysis of evidence for both intra- and inter-molecular attractions in dimethylsulfoxide complexes of metal perchlorates is used to provide a basis for the consideration of weak interactions between complex ions involving forces including phenyl-group attractions, hydrogen bonding and cavity inclusion.     

聚乙烯基咔唑与Alq3混合薄膜的发光性能与能量传递过程

研究了Alq3与聚乙烯基咔唑(PVK)按不同比例的混合体系制备的薄膜的发光特性.通过对混合薄膜的吸收光谱、激发光谱和发射光谱的分析，研究了PVK与Alq3之间的 能量传递规律.当Alq3与PVK的质量比为1∶7时，能量传递效率最高.用一个由单链模 型扩展到包括杂质的哈密顿量对实验进行模拟，发现该模型能够较好地解释有关的实验结果. 关键词： 吸收光谱 激发光谱 发射光谱 能量传递     

Some Aspects of the Implementation of Scaling Quantum Mechanical Molecular Force Fields

Some features of software implementation of the Pulay scaling procedure are considered. The advantages of the single value decomposition method for maintaining well-conditionality of the scale factor determination problem are demonstrated. The necessity of using a rational number of scale factors is shown. The possibility of obtaining transferable scale factors with the Pulay method and thus predict the vibrational spectra of related compounds is emphasized.     

Kinetic Studies on the Reaction of Sodium Hexa-cyanoferrate(II) Complex with Peroxydisulfate Anion

Introduction In the previous studies on the oxidation reaction,peroxydisulfate was widely used as an oxidizingagent.1-5 One of the advantages of this oxidant lies in itsstability in a wide range of pH values. The reaction be-tween Fe(CN)5L3- (L=N-aromatic heterocyclic li-gands) and S2O8 2- has been proved to proceed throughan outer-sphere electron transfer mechanism.5 For a re-action [(Eq. (1)] to be under an outer-sphere mechanismthe steps involved are the formation of a reactant …     

Theoretical Study on the Long-lived Complexes for the Na＋I2 Collision System

For the Na I2 collision system, theoretical study is performed on the QCISD(T) level by using ab initio method. The ab initio potential energy surfaces are got and on them the long-lived complexes are found and optimized. These results verify the crossed molecule beam experimental phenomenon and the detailed geometry structures are given for the first time. The role of the complexes in the reaction path is also described in detail.     

Synthesis and Photochemical Properties of a New Substituted Phenol Covalently Linked to Ruthenium （Ⅱ） Tris-bipyridine Containing Four Ester Groups as Sensitizer

As photosensitizer for solar cell, a new ruthenium (Ⅱ) complex with four ester groups had been synthesized, in which a phenol substituted by {[(2-hydroxy-5-tert-butylbenzyl)(pyridyl-2-methyl)amino]methyl} is covalently linked to ruthenium (Ⅱ) tris-bipyridine. The structures of the new compounds were confirmed by NMR and ESI-MS spectra. The electrochemical and photochemical properties were also studied.     

Continuous dependence on modelling for a complex Ginzburg–Landau equation with complex coefficients

Continuous dependence on a modelling parameter is established for solutions of a problem for a complex Ginzburg–Landau equation. A homogenizing boundary condition is also used to discuss the continuous dependence results. We derive a priori estimates that indicate that solutions depend continuously on a parameter in the governing differential equation. Copyright © 2004 John Wiley & Sons, Ltd.