含吩噻嗪金属配合物的合成及非线性光学性质研究

本文报道了一种新的配体:10-乙基-3-甲酰吩噻嗪缩肼基二硫代甲酸甲酯(HL)及其金属配合物的合成。采用了元素分析、质谱、核磁共振、红外光谱对配体及其金属配合物进行了表征。此外,并应用紫外、荧光和Z-扫描技术,测定了配体及其金属配合物的荧光最佳发射波长(λ_max^em)、荧光量子产率(Φ_f)、寿命(τ)和非线性光学性质。结果表明它们在DMF溶液中都能发射出较强的橄榄色荧光,配体及其金属配合物都有双光子吸收,并且金属配合物的非线性光学效应比配体明显增强。用半经验量子化学方法(RHF/PM3)计算结果与实验值较为吻合。     

电化学超级电容器电极材料的研究进展

回顾了电化学超级电容器电极材料的研究进展，并对不同电极材料的储能原理和性能特点进行了简要的阐述。参考文献29篇。     

Transition metal(II) ions with dinegative tetradentate schiff base

Some new coordination polymers of Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II), obtained from the interaction of metal acetate with dipotassium salt of N,N’-di(carboxyethylidene)terephthalaldehydediimine (K₂SB) are described. The products, which have been characterized by elemental analyses, magnetic measurements, thermogravimetric analyses, electronic and infrared spectral studies, have composition, [M(SB)(H₂O)₂]_n. These colored coordination polymers are non-hygroscopic and quite stable at room temperature. On the basis of analytical data and IR studies, a 1:1 metal to ligand stoichiometry has been suggested to these coordination polymers. The IR studies have also revealed that ligands are coordinated to metal ion through carboxy oxygen and azomethine nitrogen. All the studies suggested tetradentate nature of the ligand with octahedral symmetry of the coordination polymers. All the coordination polymers are insoluble in acetone, ethanol, chloroform, methanol, benzene, DMF and DMSO. The thermal decomposition of the coordination polymers is studied and indicates that not only the coordinated water is lost but also that the decomposition of the ligand from the coordination polymers is necessary to interpret the successive mass loss.     

An investigation of the aromaticity of transition metal heterocyclic complexes by conventional criteria and indices of aromaticity

Conventional criteria and indices of aromaticity, including electronic, geometric, energetic and magnetic aspects have been applied to examine the aromaticity of five typical transition metal heterocyclic complexes, i.e. six-membered osmabezene 1 and iridabenzene 2, five-membered cobaltacyclopentadiene 3 and iridacyclopentadiene 4, and four-membered tungstacyclobutadiene 5. The results show that the cyclic, planar, conjugated and Hückel 4n+2 rule’s criteria in the transition-metal-containing heterocycles of the five complexes studied are all met. Five quantitative aromaticity indices, including Bird aromatic index (I_n), homodesmotic reaction aromatic stabilization energy (HASE), absolute hardness (η), diamagnetic susceptibility exaltation (Λ) and NMR chemical shift (δH), qualitatively lead to a consistent and affirmative conclusion that all of them are aromatic. However, they fail to draw a common conclusion for their relative magnitudes of aromaticity, which proves once again the multidimensional character of aromaticity.     

Study of the Complexation Behavior of Calixarene with Transition Metal Cations by UV—vis and Fluorescent Spectra

A new fluorescent compound based on calix[4] arene skeleton was synthesized.Its complexation ability with transition metal ions,such as Fe^3 ,Co^2 ,Ni^2 ,Cu^2 ,Zn^2 and Ag^ ,Was investigated by UV-vis and fluorescent spectra.     

贮氢合金材料电化学与表面性能的研究进展

贮氢合金材料电化学与表面性能的研究进展①杨勇李骏林祖赓（厦门大学化学系，固体表面物理化学国家重点实验室，厦门３６１００５）八十年代后期以来，人们对地球的环境保护提出了更高的要求，而便携式电器（如移动电话，摄像机与笔记本电脑等）对电池的需求也大量增加...     

甲烷部分氧化制合成气 Ⅰ．甲烷在过渡金属上的活化

文中用同位素交换（Ｄ_２─ＣＨ_４）反应来测量四种过渡金属负载型催化剂对甲烷的活化能力，并与Ｓｖｅｎｓｓｏｎ等从头算的计算结果作了比较，表明最有效活化甲烷分子的Ｃ─Ｈ键的金属是铑（Ｒｈ）．文中还测定了在甲烷部分氧化制合成气反应中，四个不同催化剂的催化活性与选择性，并与它们对甲烷的活化能力进行对比，可以看出甲烷部分氧化反应中，反应活性高的催化剂有效地活化甲烷，断裂Ｃ─Ｈ键，而且氘代甲烷产物分布以形成ＣＤ_４产物为主要成份．     

A comparative study on the thermal decomposition of some transition metal carboxylates

Thermal decomposition of transition metal malonates, MCH₂C₂O₄?xH₂O and transition metal succinates, M(CH₂)₂C₂O₄?xH₂O (M=Mn, Fe, Co, Ni, Cu, Zn) has been studied employing TG, DTG, DTA, XRD, SEM, IR and Mössbauer spectroscopic techniques. After dehydration, the anhydrous metal malonates and succinates decompose directly to their respective metal oxides in the temperature ranges 310–400 and 400–525°C, respectively. The oxides obtained have been found to be nanosized. The thermal stability of succinates have been found to be higher than that of the respective malonates.     

Evaluation of Orbital- and Ground State Energies of Some Open- and Closed-Shell Atoms over Integer and Noninteger Slater Type Orbitals

Ab initio calculations of the orbital and the ground state energies of some open- and closed-shell atoms over Slater type orbitals with quantum numbers integer and Slater type orbitals with quantum numbers noninteger have been performed. In order to increase the efficiency of these calculations the atomic two-electron integrals were expressed in terms of incomplete beta function. Results were observed to be in good agreement with the literature.