Density-functional study of CO adsorbed on RhN （N = 2-19） clusters

We investigate the structural, electronic and adsorption properties of one single CO molecule adsorbed on Rh_N (N = 2-19) clusters, using the density-functional theory in the spin-polarized generalized gradient approximation. It is found that the structural growth model of the Rh_N clusters transforms from double layers (N = 12-16) to three layers (N = 17-19). Three different adsorption types are the atop site adsorption for N = 6, 8, 9, 11, 12, the bridge site adsorption for N = 2-5, 7, 10, 13-15, 17 and the face adsorption for N = 16, 18, 19. The adsorption abilities of Rh_N clusters are related to C-O bond length, vibrational frequency, adsorption energy and the charge transfer between CO and Rh clusters as well as the electronic density of state. With the increase of Rh cluster size, the adsorption energy of CO adsorbed on Rh_N clusters tends to be 2.2 eV-2.3 eV, which is 0.2 eV-0.3 eV larger than the theoretical value (about 2.0 eV) of CO molecule adsorption on clean Rh (111) surface.     

本体聚合反应过程中聚甲基丙烯酸甲酯增长自由基的ESR研究

采用TM₁₁₀谐振腔和φ2mm样品管,在17℃室温条件下成功地记录了MMA本体聚合反应过程中增长自由基的ESR谱。当把DMA加入到MMA和BPO中后,立即抽取0.17ml混合液到φ2mm样品管并记谱。以后每隔2分钟记谱一次,波谱从13(5+8)条线逐渐变成9(5+4)条线。我们用阻碍振荡模型和构象重叠模型作了模拟。从全部谱图看,前者似更合理些。ESR实验表明:在聚合过程前期,自由基浓度基本保持不变,但从聚合中期的某一时刻开始,浓度剧增,它正好同步地与本体聚合反应的自加速效应相对应,而且其变化规律和单体转化率相平行。最后,我们用微波功率饱和方法观测到9线谱的协同自旋跳跃所产生的卫线,证明了主导的电子自旋晶格弛豫机理来自电子一核自旋间的偶极偶合角调制。     

可变色的ZnSe:Er3+ MIS发光二极管

本文首次利用高场和低场激发下的有效发光中心,设计和制备了随外加电压极性改变而变色的ZoSe:Er3+ MIS发光二极管。这种发光二极管在正向电压激发下得到蓝色发光,而在反向电压激发下得到绿色发光。     

由游离的三氨基胍在非水溶剂中合成TAZ

由游离的三氨基胍和叠氮酸在非水溶剂中合成三氨基胍叠氮酸盐（ Ｔ Ａ Ｚ）,其结构由元素分析、质谱（ Ｍ Ｓ）和 Ｉ Ｒ谱所证实     

Aortic elastin fluorescence afterin vivo labeling with Congo red

Congo red (CR) is an azo dye which not only preferentially binds to elastin, an extracellular matrix protein found in the media of arterial vessel walls, but also fluoresces when it binds to this protein. Protein solubilization data following laser irradiation of elastin:CR suspensions determined that the amount of elastin solubilized by laser irradiation increased with the increase in CR. The saturation point of CR to elastin was attained when 400 g CR was added to 20 mg elastin suspension. When 20 ml of a 5% CR solution in 5% dextrose was administered intravenously, the CR was absorbed in levels sufficient to produce fluorescence of the main arteries in rabbits. Layers of tissue both in the media of the vessels and at the endothelial/intimal interface were clearly differentiated. Therefore, the elastin:CR complex appears to be an ideal system in which the elastin fluorescence could aid in distinguishing between normal and diseased tissue in certain pathological conditions, such as atherosclerosis and some types of breast tumors.     

亚硝基甲胺异构化的量子化学研究

此文用ＭＮＤＯ方法研究了亚硝基甲胺异构化反应的机理。     

Cd3Al2Ge3O12:Mn2+锗酸盐石榴石光谱性质

本文报道室温下Cd₃Al₂Ge₃O₁₂:Mn²⁺(简称CAGG:Mn²⁺)锗酸盐石榴石的漫反射光谱、激发和发射光谱.在UV光激发下,在CAGG中Mn²⁺离子发射强黄光,这是基质到Mn²⁺离子无辐射能量传递的结果.Mn²⁺的黄发射带是由一个弱的红带和一个强的绿带所组成.讨论了这两个Mn²⁺发射带的起因.     

线阵扫描超声相关合成成像方法与实验

本文讨论了改进的医用B超线阵扫描探头在工业无损检测中的应用．在合成孔径聚焦技术（SAFT）基础上提出了改进方法，在探元响应带宽较窄的情况下可获得较高信噪比的成像结果．文中介绍了成像系统，实验方法，并给出了一些实验结果．     

三维回旋自共振微波放大器的理论计算

给出了三维回旋自共振微波放大器（ＣＡＲＭ）的电于运动方程和光场演化方程，并在忽略束流空间电荷效应的前提下，编制了单模放大器程序。利用数值模拟详细考察了电子束束流质量对微波输出功率的影响，模拟结果与实验值符合得很好。     

用光谱烧孔研究卟啉掺杂的高分子薄膜中电子－声子的相互作用

本文对电子给体、受体双掺杂在高分子薄膜中形成的光谱烧孔体系，做温度循环实验，研究体系中电子－声子的相互作用，得到了表征电子－声子耦合强度的黄昆因子和薄膜中局域振动的声子频率．