二氯四(苯丙酮-1, 2, 4-三唑)合钴六水配合物晶体结构

0IntroductionRecently,thecompoundscontaining1H-1,2,4-tr-iazolegrouphaveattractedmuchinterestbecauseoftheirexhibitingsomefungicidalactivityandplantgrowthregulatingactivity犤1犦,andshowingantibacterialactivityagainstPucciniareconditeandrootsgrowthregulationforcucumber犤2犦.Also,suchcompoundsareincreasinglybeingstudiedbecauseofthecoordinationchemistryofazolesactingasligandsintransitionmetalcompounds.Asamatteroffact,thetriazolederivativeshavebeenextensivelyusedasterminalandbridgingligands,andthey…     

二(三苯基膦)水杨酸铜(Ⅰ)乙醇溶剂配合物的晶体结构

0IntroductionThestudyofcopper?complexesisinvestigatedinmanylaboratories.Amongthereasonsforcarryingouttheinvestigationofsuchspeciesaretheirstructuralfeatures犤1犦,theusefulnessofcopper?compoundsinorganicsyntheses犤2犦andthewell-documentedimpor-tanceofcopper?centersattheactivesitesofanumberofprotein犤3犦.Concerningcopper?carboxy-latesafurtherinterestexists,stemmingfromtheiruseinhomogeheouscatalysedhydrogenation犤4犦.Thecopper?bis(triphenylphosphine)cationisasoft,butflexi-bleacceptorionthatcanacc…     

自由场空泡溃灭过程能量转化机制研究

综合应用实验与数值模拟方法, 深入讨论了自由场空泡溃灭过程中的能量转化机制. 在实验研究中, 应用纹影法记录了空泡溃灭的演变过程, 提取了空泡在溃灭过程中的半径, 溃灭速度等数据, 结合空泡势能和动能方程, 描述了空泡能量的转化过程. 在开展数值模拟分析时, 运用弱可压缩流体质量守恒方程和动量方程, 建立了三维数值模型用以模拟空泡在自由场中的溃灭过程, 并且由结果中获取了空泡溃灭过程中的压力及速度变化规律, 揭示了空泡在溃灭过程中能量转化机制. 研究结果表明: (1) 自由场空泡在溃灭过程中, 空泡势能与空泡半径具有相同的演化趋势, 空泡动能与势能变化趋势相反; 当空泡达到最大半径处时, 空泡势能最大, 流场动能为零. (2) 溃灭后期在空泡周围会形成高压区域, 该区域的压力梯度与速度梯度较高, 随着空泡收缩, 高压区域面积逐渐减小. (3) 空泡在自由场中发生溃灭时, 空泡势能不断转化为流场动能, 在溃灭时刻可以明显观察到冲击波现象, 空泡的大部分能量会在此时转化为冲击波的波能.      

采用干法刻蚀进行微通道板扩口理论模型研究

开口面积比是微通道板（MCP）重要的性能指标,在MCP输入面进行扩口,对于MCP的探测效率、噪声因子等参数有显著的提升作用,在微光夜视仪、粒子探测器等军用、民用领域具有巨大的应用潜力。采用湿法腐蚀进行微通道板扩口,面临工艺一致性差、选择性腐蚀造成锥度尺寸难以达标等难题,实质性批量应用非常困难。针对扩口MCP难以制作和应用的问题,提出一种采用干法刻蚀进行MCP扩口的方法,阐述了干法刻蚀进行MCP扩口原理及可行性。通过建立理论模型研究干法刻蚀工艺参数如刻蚀角度、刻蚀时间等对于MCP开口面积比、通道内刻蚀深度、通道内壁刻蚀锥度等性能参数的影响,计算出合适的工艺参数范围,为开展实验研究奠定了基础。     

Deep InP Gratings for Opto-Electronic Devices Etched by C12/CH4/Ar Inductively Coupled Plasma

Deep InP gratings are etched by C12/CH4/Ar inductively coupled plasma （ICP） at room temperature. A comparison is made between SiNz mask patterns formed by wet and dry etching. SF6 reactive ion etching is adopted for smooth and vertical sidewall. The etching conditions of C12/CH4/Ar ICP are optimized for high anisotropy, and a 1.7-μm-deep InP grating with an aspect ratio of 10：1 is demonstrated. The technique is then used for the fabrication of 1.55-μm laterally coupled distributed feedback A1GMnAs-InP laser.     

新烟碱类杀虫剂生物活性的理论研究和结构修饰*

在B3LYP/6-311G基组水平下,运用密度泛函理论(DFT)的量子化学方法,对20种重氮乙烷新烟碱类杀虫剂分子的电子结构特征进行了研究,获得了它们的前线轨道能(EHOMO、ENHOMO、ELUMO、ENLUMO等)、原子电荷(Qi)、摩尔熵(Sm)、偶极矩(μ)等量化参数与物理性质。经最佳变量子集回归研究发现,重氮乙烷新烟碱类杀虫剂分子对果蝇n AChRs、哺乳动物α4β2亚型的亲和力常数(p KD、p KA)分别与ELUMO、QW、QF、QN等参数具有良好的线性关系。逐一或逐四剔除交互验证以及VIF、tα/2检验,所建2个QSAR模型具有良好的稳健性及预测能力。根据2个QSAR模型推断了重氮乙烷新烟碱类分子可能的杀虫机理。进一步研究发现,在重氮乙烷新烟碱类分子的吡啶环上的合适部位,选用不含复键的吸电子能力较强的取代基团对其进行结构修饰,有利于提高修饰后分子的生物活性。基于分子17,设计出4种经结构修饰后对果蝇n AChRs亲和力显著提高的重氮乙烷新烟碱类分子(分别是分子27,28,30和31),希望能得到实验的证实。     

Dependence of Crystal Quality and β Value on Synthesis Temperature in Growing Gem Diamond Crystals

High quality Ib gem diamond single crystals were synthesized in cubic anvil high-pressure apparatus （SPD- 6 × 1200） under 5.4GPa and 1230℃-1280℃. The （100） face of seed crystal was used as growth face, and Ni70Mn25Co5 alloy was used as solvent/catalyst. The dependence of crystal quality andβ value （the ratio of height to diameter of diamond crystal） on synthesis temperature was studied. When the synthesis temperature is between 1230℃ and 1280℃, theβ value of the synthetic high-quality gem diamond crystals is between 0.4 and 0.6. The results show that when theβ value is between 0.4 and O. 45, the synthetic diamonds are sheet-shape crystals; however, when theβ value is between 0.45 and 0.6, the synthetic diamonds are tower-shape crystals. In addition, when theβ value is less than 0.4, skeleton crystals will appear. When theβ value is more than 0.6, most of the synthetic diamond crystals are inferior crystals.     

迷迭香中微量元素与黄酮类化合物的含量分析

以甲醇为溶剂用索氏提取法提取迷迭香中总黄酮,用比色法测定了其含量;并采用电感耦合等离子体-原子发射光谱仪(ICP-AES)测定了该植物中9种微量元素的含量。结果表明:迷迭香中黄酮类化合物的含量为1.61mg/g,加样回收率为98.98%—100.06%,RSD为0.419%(n=6),该法操作简便,重现性好,适合于黄酮类化合物含量的测定;迷迭香中Fe、K、Mg、Mn、Zn含量丰富。     

Dual-wavelength synchronously mode-locked Tm-doped bulk laser with terahertz frequency beating

A dual-wavelength synchronously mode-locked homogeneously broadened bulk laser operating at 1985.6 and1989 nm is presented for the first time, to the best of our knowledge, which delivers a maximum output power of 166 m W and a repetition rate of 85 MHz. The pulse duration was measured to be 16.8 ps by assuming a sech~2 pulse shape. The recorded autocorrelation trace showed frequency beating signals with an interval of 3.8 ps and a full width at half-maximum duration of 2 ps, corresponding to an ultrahigh beating frequency of about0.26 THz, which agrees well with the frequency difference of the emitted two spectral peaks. The results indicated that such a kind of dual-wavelength mode-locked Tm:YAlO_3 laser could be potentially used for generating terahertz radiations.     

激光沉积红外窗口高性能类金刚石膜技术

类金刚石(DLC)膜具有宽光谱高透射率、高硬度、高热传导及高稳定性等优点,是红外窗口增透保护膜的优选,但现有方法制备的类金刚石膜难以满足高马赫数或海上盐雾等恶劣条件下的应用。激光法相比其他制备方法具有诸多优点,介绍了激光法制备DLC膜的原理及特点,并分析了实现工程应用的难题及关键技术。采用激光沉积法制备出综合性能优异的类金刚石膜,纳米硬度高达44 GPa、内应力仅0.8 GPa、临界刮擦载荷附着力为59.1 mN。正面镀DLC膜,背面镀普通增透膜的硫化锌、硅、锗等红外窗口的平均透射率达82%~91%。实现了150 mm基片的激光法大尺寸均匀薄膜,膜厚不均匀性≤±2%。制备的DLC膜红外窗口通过军标环境适应性试验,并已实现工程化应用。