Syntheses,crystal structures and blue emission of three zinc(II) coordination polymers with a 4,4′‐dicarboxybiphenyl sulfone ligand

Three novel zinc complexes [Zn(dbsf)(H₂O)₂] ( 1 ), [Zn(dbsf)(2,2′‐bpy)(H₂O)]·(i‐C₃H₇OH) ( 2 ) and [Zn(dbsf)(DMF)] ( 3 ) (H₂dbsf = 4,4′‐dicarboxybiphenyl sulfone, 2,2′‐bpy = 2,2′‐bipyridine, i‐C₃H₇OH = iso‐propanol, DMF = N,N‐dimethylformamide) were first obtained and characterized by single crystal X‐ray crystallography. Although the results show that all the complexes 1–3 have one‐dimensional chains formed via coordination bonds, unique three‐dimensional supramolecular structures are formed due to different coordination modes and configuration of the dbsf^2? ligand, hydrogen bonds and π–π interactions. Iso‐propanol molecules are in open channels of 2 while larger empty channels are formed in 3 . As compared with emission band of the free H₂dbsf ligand, emission peaks of the complexes 1–3 are red‐shifted, and they show blue emission, which originates from enlarging conjugation upon coordination. Copyright © 2006 John Wiley & Sons, Ltd.     

氢对GaAs薄膜的钝化作用

报导了射频磁控溅射与沉积气氛掺氢相结合制备单层(13~20 nm厚)高质量GaAs多晶态纳米薄膜的方法,研究了氢钝化对薄膜微观结构及光学性质的影响.对GaAs薄膜进行了X射线衍射、原子力显微镜、吸收光谱、光致荧光谱的研究分析.结果表明,衬底温度500℃的掺氢薄膜和520℃的薄膜呈面心立方闪锌矿结构，薄膜的晶团尺寸较大，微观表面较为粗糙，其吸收光谱出现了吸收边蓝移和明显的激子峰，带隙光致荧光峰强明显增加，说明氢在衬底温度500℃~520℃下对薄膜有重要的钝化作用.     

CH3S CH2SH异化反应的理论研究

利用密度泛函理论(DFT)和从头算(ab initio)研究了CH3S←→CH2SH互异化的反应机理．采用HF、B3LYP、MP2理论水平和中等基组6-31(d)，计算了CH3S、CH2SH及其过渡态的结构参数、谐振频率、零点能(ZPF)、总能量和相对能量，并利用B3LYP／6-31(d)的方法计算了反应的内禀反应坐标(IRC)，给出了分子构型和自旋污染沿反应坐标的变化曲线，以及最小能量曲线(MEP)、绝热能量曲线．此外，利用传统过渡态理论(CTST)研究了该互异化反应的速率常数和平衡常数在200～1000K的变化．     

5 TW/40 fs级台式钛宝石激光系统研究

在TSA-25系统输出35 mJ,800 nm啁啾脉冲的基础上,建立了以钛宝石作为增益介质的二级啁啾脉冲放大(CPA)系统。使用0.6 J和1.6 J,532 nm,10 Hz Nd∶YAG激光抽运,输出脉冲能量达到500 mJ,经压缩脉冲宽度为41 fs,压缩器的能量转换效率为63%,峰值功率可达7.6 TW。通过对放大器系统的钛宝石晶体、抽运密度以及多通结构通道数的选择等实验,有效地提高了能量放大器的萃取效率。其主放大器能量萃取效率达到32%,整个系统占用尺寸不到10 m2。     

Convergence of the fractional step Lax-Friedrichs scheme and Godunov scheme for the isentropic system of gas dynamics

A convergence theorem of the fractional step Lax-Friedrichs scheme and Godunov scheme for an inhomogeneous system of isentropic gas dynamics (1<5/3) is established by using the framework of compensated compactness. Meanwhile, a corresponding existence theorem of global solutions with large data containing the vacuum is obtained.Partially supported by U.S. NSF Grant # DMS-850403     

氯离子柱撑水滑石共沉淀法合成反应动力学

根据氯离子型层状复合氢氧化物(LDH-Cl)制备过程中溶液浓度变化的监测结果和不同反应进程时产物的EDS、IR、XRD、TEM、TG-DTA表征结果,研究了合成LDH-Cl的共沉淀反应动力学特征及机理.实验结果表明, LDH-Cl的生成符合多核层表面反应动力学模型;反应过程中LDH的晶胞参数c从2.421 nm变为2.399 nm,通道高度h由0.3321 nm减小为0.3228 nm,粒子直径Da由6.40 nm增大为15.16 nm, Dc由7.43 nm增大到10.93 nm,纵横比由0.86增大为1.39; IR和TG-DTA特征变化表明了层板对阴离子作用的强度和层板的结构稳定性随反应进程而提高.     

新显色剂对羧基苯基重氮氨基偶氮苯的合成及与镉显色反应的研究

本文报道了新色剂对羟基苯基重氮氨基偶氮苯的合成。