CHBr薄膜制备的初步研究

碳氢（cH）及其掺杂材料常被用作ICF实验靶丸烧蚀层材料。制备CH薄膜及其掺杂材料的方法有很多，诸如：离子束辅助沉积、离子溅射沉积、低压等离子体化学气相沉积（LPPCVD）等。近年来，详细研究了LPPCVD法制备CH薄膜的制备方法与工艺，形成了比较成熟的技术路线与工艺路线，并为“神光”实验提供了一系列实验靶丸。     

让数学课上得"错"一些

我们经常看到一些精心打造的公开课,上课老师或有深不可测的思维技巧、丝丝入扣而又头头是道的思路剖析;或天衣无缝的师生配合、画龙点睛般的神来之笔;或夺人心目的课件、令人眼花缭乱的影象视听;或口若悬河般抑扬顿挫的语言、不差毫厘的时间安排……,总之,老师高超的艺术令人拍案叫绝,深刻的印象多少天后有人还记忆犹新.但也有很多人半喜半忧地发出有声或无声的疑问:“这是真实的数学课?真实的数学课难道能这样完美无缺吗?有无表演的成分?平时的常态课又应是什么样的呢?”求真务实是在日常生活中对每一个人的要求,还数学课之本来面目,需要…     

Theoretical Study of the Low-Lying Excited States of Butoxy Radicals and Non-Radiative Decay Routes

The potential energy surfaces for the butoxy radical dissociation into R·＋O on the six low-lying electronic states have been determined with the combined CASSCF and MR-CI methods. The isomerization reactions between the different conformers of 1- and 2-butoxy radicals at the X and B states have been also investigated with the MP2, B3LYP, and CASSCF methods. The non-radiative decay mechanisms of butoxy radicals at the B state have been characterized with the computed potential energy surfaces and intersections. Supported by recent LIF experimental results, it was predicted that the t-butoxy radical would predissociate via the B/C intersection. As to 1- and 2-butoxy radicals, the relative energies of the transition states for the isomerization reactions between conformers at the B state are much lower than those of the B/C intersections, resulting in the predominance of the isomerization in the decay of the B state for 1- and 2-butoxy radicals.     

An improved synthesis of （-）-7-isopropyl-cis-1-amino-2-indanol the chiral auxiliary for 6π-azaelectrocyclization

(-)-7-Isopropyl-cis-1-amino-2-indanol, a key chiral auxiliary and ligand in the highly stereo-selective asymmetric 6π-azaelectrocyclization, has been prepared previously by two methods. Each however involved using of one extreme condition, i.e. high temperature or high pressure, for the respective reaction. A modified reaction route employed mild condition for synthesis was presented in this report.     

2010年美国总统绿色化学挑战奖获奖成果与启示

介绍了2010年美国总统绿色化学挑战奖的获奖项目:美国DOW化学公司和德国BASF公司共同获得了绿色合成路线奖;Merck&Co Inc公司和Codexis Inc公司获得了绿色反应条件奖;Clarke公司获得了绿色化学品设计奖,他们合成了一种改进型的多杀菌素;加州大学洛杉矶分校的廖俊智教授领导的团队获得了学术奖;致力于可再生技术的石油公司LS9公司获得了小企业奖。     

A Convenient and Practical Prepapation of Acetylphenyl Boronic Acids

A practical and scalable synthesis route of acetylphenylboronic acids is described. Bromoacetophenones (compounds 3a, 3b) were ketalized with ethylene glycol and triethyl orthoformate to give bromo ketals (compounds 4a-4c) in 60-80% yields. Compounds 4a-4b were treated with a Grignard reagent and then exchanged with borate to give p-and m-acetylphenyl boronic acids(compounds 5a and 5b) in 80% and 56% yields, respectively. The o-form(compound 5c) was obtained in 61% yield via the BuLi method.     

鸟嘌呤四链体中Na~+的移动

Na+-G-四链体复合物是一个明显的极化体系,其形成或解离过程中,Na+的移动路线目前还不十分明确.σπ水平的原子-键电负性均衡方法融合进分子力学(ABEEMσπ/MM)模型除原子位点外,还明确地定义了孤对电子、σ键和π键的位置,并且各位点电荷随分子环境改变而浮动,因此能更好地反映该体系的极化现象.本文应用ABEEMσπ/MM方法研究了Na+-G-四平面复合物的性质,包括它的几何构型、电荷分布和结合能等,并在MP2/6-31G(d,p)水平上做了相应的从头算,两种结果十分吻合.Na+的存在改变了G-tetrad的氢键方式.通过比较Na+各条移动路线中体系的结合能,预测G-四链体中三个Na+最有可能沿α方向依次移出.以上研究为进一步应用ABEEMσπ/MM模型进行G-四链体中离子交换通道的动力学模拟打下坚实的基础.     

基于三苯胺的荧光探针设计、合成与应用研究进展

螺旋桨结构的三苯胺荧光团既能作为强的电子供体,又能作为潜在的聚集诱导发光(AIE)骨架.同时,三苯胺衍生物很容易通过简单的反应进行结构修饰,如醛基、氨基、硼酸基、卤素、乙炔基等取代的三苯胺能够发生缩合反应或偶联反应等,进一步功能化.因此,功能性三苯胺类化合物被广泛用于太阳能电池、荧光染料、固态发光材料和荧光探针的分子设...     

炭黑颗粒及氟粒子辅助法合成多级结构MCM-22分子筛及其催化性能

以碳黑为第二模板剂在氟离子体系中一步水热合成了多级结构MCM-22分子筛组装体（简称为MCM-22-FC）。考察了碳黑和氟离子对MCM-22分子筛形貌和催化性能的影响。MCM-22-FC分子筛是由大量片状晶体交错生长形成的组装体结构,其中MCM-22的片层结构更薄,在其固有的微孔中存在的晶间孔呈现大孔和介孔的特征。MCM-22-FC负载Mo后得到的Mo/MCM-22-FC催化剂在甲烷无氧芳构化反应（MDA）中提高了苯收率和芳烃选择性,并且提高了催化剂的寿命。通过氨气程序升温脱附（NH₃-TPD）表征,吡啶红外（Py-IR）表征,结合热重（TG）分析,得出的结论是Mo/MCM-22-FC在MDA中优越的催化性能是由于氟离子进入到分子筛骨架当中,形成具有拉电子效应的结构单元,从而提高了分子筛的Brönsted酸量,较多的Brönsted酸性位将更多的Mo物种迁移至分子筛孔道内部,形成更多的MoC_x或MoO_xC_y活性物种以及更有利于大分子产物扩散的MCM-22薄片层的结构。少量过剩的Brönsted酸性位在成型后保留在Mo/HMCM-22-FC催化剂活性中心抑制了积碳的形成,也有助于改善芳烃的选择性。     

基于伪布尔可满足性的流水线工位优化设计

鉴于保持流水线生产平衡的基本问题,因此在给定流水线工序、工时以及工位的情况下,通过建立相关数学模型,给出有关的约束条件和目标函数,提出了基于伪布尔可满足性的流水线优化工位设计算法,实现了流水线工位的优化安排,使流水线达到平衡生产.