RCCo_3(CO)_9的电化学和RCCo_3(CO)_9~-的ESR谱研究

本文对三种RCCo_3(CO)_9及相应的自由基进行了电化学和ESR谱研究.电化学研究表明,RCCo_3(CO)_9被还原为自由基的难易与R的性质有关,RCCo_3(CO)_9在室温下可以稳定存在.在对分子轨道对称性分析的基础上对簇合物自由基的ESR谱进行了讨论.确定了超精细偶合常数的符号和未成对电子占据轨道的性质,计算了Co的3d轨道和4s轨道的自旋密度.     

Photostability of novel copolymers functionalized with laser dyes based on modified rhodamine 6G and 1,8-naphthalimide

Modified rhodamine 6G molecules (Rh-Al or Rh-Aln) with polymerizable double bonds had been copolymerized with 1,8-naphthalimide derivatives. In copolymers PRNAM, naphthalimide moieties are connected to rhodamine moieties at nitrogen atom of rhodamine moiety, and in copolymers PRNM naphthalimide moieties are connected to rhodamine moieties at ester group of rhodamine moiety. We report on their photostability in liquid solution and in solid film. The photodegradation kinetics of novel copolymers functionalized with laser dyes based on modified rhodamine 6G and 1,8-naphthalimide has been studied by UV-VIS absorption spectroscopy. The results show that the rates of the photofading reactions of these novel copolymers follow quasi-first-order. The photostability of the copolymers functionalized with laser dyes in solid films is better than that in solutions. The different type of the copolymer shows the different photostability.     

Substituent effect of large conjugate groups on the DNA base pair derivatives: Density functional study

The substituent effects caused by 2‐nitro‐naphthalen (aNO₂), 2‐hydroxyl‐naphthalen (aOH), 1‐nitro‐4‐vinyl‐benzene (bNO₂), and 1‐hydroxyl‐4‐vinyl‐benzene (bOH) have been investigated in this report. The geometries of various substituted base pairs have been optimized using the B3LYP method at the 6‐31G* level with no constraints. The vertical ionization potential energy has been calculated. Natural bond orbital (NBO) and CHelp analyses have also been carried out on both the neutral and cationic systems at the same level. The outcomes show that the hydrogen bond lengths of these substituted base pairs are similar to unsubstituted bases, while the geometries of the substituted bases have an interesting aspect; i.e., the substituent and the substituted base are nonplanar when the substituted base is pyrimide, while it is coplanar when the substituted base is purine. The stabilization energies changed slightly as compared with the corresponding A:T or G:C base pairs. NBO analysis shows that charge transfer is the largest in aOH‐T:A, while it is small in the other derivatives. Population analysis shows that the NPA and Mulliken charge of H has a relationship with the H‐bond lengths, while that of Chelp does not. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

利用场耦合理论研究开放微波谐振腔

利用电磁场的等效原理，将一个开放微波腔等效于一个闭合边界微波腔（即封闭微波腔）和开放边界（即行波吸收边界）两部分，然后利用等效封闭微波腔的本征模式及其与开放边界的耦合，建立了关于开放微波腔模式（即模式场分布、频率、品质因子）的耦合方程组，其中开放边界为行波吸收边界.以X波段六腔渡越振荡管为例进行分析，将该振荡管等效为封闭微波腔和同轴输出结构两部分，用SUPPERFISH获得封闭腔的各个模式场分布及频率，然后根据封闭微波腔与开放边界的耦合，求得六腔渡越振荡管的工作模频率为9.25GHz，品质因子为115.2，与实验测量结果基本符合.     

增强UV-B辐射、NaCl胁迫及其复合处理对小麦幼苗光合作用及黄酮代谢的影响

依据增强UV-B辐射、NaCl胁迫及其复合处理不同天数，分别测定各处理小麦幼苗第一片真叶的净光合速率、气孔导度、叶肉细胞间隙二氧化碳浓度、叶绿素含量、黄酮含量和苯丙氨酸裂解酶活性.发现NaCl胁迫和增强UV-B辐射均明显降低小麦幼苗的净光合速率、气孔导度和叶肉细胞间隙CO2浓度;和NaCl胁迫相较， NaCl+UV-B辐射对小麦幼苗上述指标无进一步降低效应.增强UV-B辐射、NaCl胁迫及其复合处理均促进苯丙氨酸裂解酶活性和黄酮含量提高.说明了增强UV-B辐射降低小麦幼苗净光合速率的主要原因是气孔限制，而NaCl胁迫减轻了增强UV-B辐射对小麦幼苗光合作用的降低效应.     

茶皂素定量测定方法 的研究

我们以 纯化的茶 皂贰为标准 品,采用光度法对 茶皂 素的定 量测定方 法进行 了研 究.以8% 的 香 草醛 乙 醇 溶 液 和 7 % 硫酸为 显 色剂,测 定波长 为 4 52.sn m,显色反应的 温度为 60 ℃、反 应 时间 为 15 分钟 为宜.本方法具有操作简 便,消耗试剂量少及重复性好等特 点.结果表 明本法 适 用于 工 业 分析中茶皂素的定量 测 定.     

(Zn、Cd)S:Cu、Br黄色交流电致发光材料的晶体结构和发光特性

本文首次提出一种制备黄色交流粉末电致发光材料的新方法.在以ZnS为基质的绿色材料的基础上,低温扩散CdS,获得系列黄材料.并测量了晶体结构和发光特性.     

L-fuzzy拓扑空间的层浓度

在Ｌ－ｆｕｚｙ拓扑学中引入了层稠密集、层第一纲集、层Ｂａｉｒｅ空间、层浓度、及层可分空间等概念，研究了它们的基本性质，讨论了它们与分明拓扑学中相应概念的关系．     

高亮度搪瓷交流电致发光屏的研究

本文报导了通过改进珐琅介质的介电性能,并采用特殊的灼烧工艺,获得高亮度.长寿命的搪瓷交流电致发光(AC—EL)屏的方法。     

A methodology for high performance computation of fully inhomogeneous turbulent flows

A large‐eddy simulation methodology for high performance parallel computation of statistically fully inhomogeneous turbulent flows on structured grids is presented. Strategies and algorithms to improve the memory efficiency as well as the parallel performance of the subgrid‐scale model, the factored scheme, and the Poisson solver on shared‐memory parallel platforms are proposed and evaluated. A novel combination of one‐dimensional red–black/line Gauss–Seidel and two‐dimensional red–black/line Gauss–Seidel methods is shown to provide high efficiency and performance for multigrid relaxation of the Poisson equation. Parallel speedups are measured on various shared‐distributed memory systems. Validations of the code are performed in large‐eddy simulations of turbulent flows through a straight channel and a square duct. Results obtained from the present solver employing a Lagrangian dynamic subgrid‐scale model show good agreements with other available data. The capability of the code for more complex flows is assessed by performing a large‐eddy simulation of the tip‐leakage flow in a linear cascade. Copyright © 2006 John Wiley & Sons, Ltd.