d9配合物MOSE曲面和几何构型的研究

d~9电子构型的金属离子所形成的配合物几何构型一般为拉长八面体或平面正方形,晶体场理论和角重叠模型都对此作出了较满意的描述,但就该电子构型的中心离子与指定配体配位时易形成配合物的配位数、配体所处的位置等问题,至今尚无满意解释.本文通过分子轨道稳定化能(MOSE)的计算及其曲面的绘制,形象地解释了上述问题.     

Investigations on Preparation,Crystal Structure and Thermal Stability of Bis(O-ethylcarbonodithiolato-S,S′)(1,10-phenanthroline-N~1,N~(10))cobalt(II) Complex:[Co(Et-XA)_2·phen]·H_2O (XA=xanthate)

IntroductionTheincreasingcommercialvalueoftransitionmetalcomplexesofxanthateshasarousedconsiderableinterestintheirchemistry .Whiletheiranalyticalapplicationsarewellknown ,1theyarenowfindingextensiveuseinvulcan izationofrubber ,frothfloatationprocessforconcentrationofsulphideores ,asantioxidants ,lubricants ,2 ,3andhavebeenfoundtopossessfungicidalandinsecticidalactivi ties .4 Recently ,molecularrecognitionbetweenhostandguestmolecules ,inclusionphenomenaandnoncovalentmolecularinteractionarefunda…     

WATER STATES IN SBR BASED WATER SWELLING RUBBER

Water swelling rubber (WSR) was prepared by reaction blending SBR andsodium polyacrylate (PAANa). The existing states of water in the WSR was studied bymeans of DSC and TG. It was found that water exists in three states: nonfreezing water,bound freezable water and free water. The relationships between water states and structureof PAANa were investigated. The results showed that the amount of non-freezing waterwas related to total water content, and the ratio of non-freezing water versus -COONagroups on PAANa (mol/mol) was about 4. However, total water content slightly affectedthe content of bound freezable water and remarkably affected the amount of free waer.     

芥子气纯度测定不确定度分析与评定

采用酸碱滴定法测定芥子气纯度,对测量结果的不确定度进行评定。分析了测定过程中不确定度来源,包括滴定剂的标定、消耗滴定剂体积、样品称量等引入的不确定度及其计算方法,最后合成得到标准不确定度。当芥子气纯度测定结果为94.78%时,扩展不确定度为0.34%(k=2)。实验结果表明,样品称量引入的不确定度对测量结果的影响最大。     

热可逆性共价交联热塑性弹性体的研究

本文以丙烯酸环戊二烯基已酯（ＣＰＤＥＡ）、烯丙基环成二烯（Ａ－ＣＰ）与丙烯酸乙酯（ＥＡ）进行乳液共聚，制得了含环成二烯侧基的共聚物．研究了工艺条件对转化率的影响，测定了共聚物的溶解性能和热转化行为．     

γ-[SiW10O36]8-夹心型稀土元素单取代多酸化合物的合成与表征

利用缺位填充法合成了12个γ-[SiW10O36]8-夹心型稀土元素单取代多酸化合物K13[Ln(SiW10O36)2]·nH2O(Ln=La3+,Ce3+,Pr3+,Nd3+,Sm3+,Eu3+,Gd3+,Tb3+,Dy3+,Ho3+,Er3+,Yb3+).通过元素分析确定其组成,由红外光谱、紫外-可见吸收光谱、循环伏安及室温磁化率测定结果确认稀土离子与γ-[SiW10O36]8-相配位;183WNMR及荧光光谱结果则表明,稀土离子处于2个γ-[SiW10O36]8-构成的八配位环境中,标题化合物具有夹心型D2d对称性结构.     

一种基于CNN的混叠光谱解调算法及FPGA实现

为了解决光纤布拉格光栅(FBG)传感网络的光谱信号混叠问题,基于现场可编程门阵列(FPGA)提出了一种利用卷积神经网络(CNN)模型的混叠光谱信号解调算法,并对其进行硬件实现与加速。通过对模型参数进行定点数量化,压缩网络模型的存储空间,提高FPGA中DSP资源的利用率;利用循环展开和数组重排等硬件优化方法,提高了系统实时性,确定了算法的并行计算方案。研究结果表明,在100 MHz的时钟下,测试集解调精度为1.19 pm,推理速度为每帧14.96μs,光谱解调速率为60 kHz,对于FBG混叠光谱信号解调具有较高的精度和速率。     

Multi-focus optical fiber lens based on all-dielectric metasurface

A multi-focus optical fiber lens is numerically demonstrated based on an all-dielectric metasurface structure. The metasurface consists of an array of rectangular silicon resonators with varying widths in order to obtain the required phase distribution. The core diameter of the multimode fiber is large enough to contain sufficient resonance units. The spatial distribution of the dielectric resonators is dictated by spatial multiplexing, including interleaving meta-atoms and lens aperture division, to achieve multi-focus properties. The proposed optical fiber metalens can produce two or three focal points along the longitudinal direction with high focusing efficiency. The size of every focal point is close to the diffraction limit, and the relative intensity on each focus can be controlled by adjusting the number of the respective resonators. The proposed optical fiber lens will have a great potential in the fields of integrated optics and multifunctional micro/nano devices.     

烟酰胺辅酶反应中心结构选择1,4-二氢烟酰胺的热力学和动力学根源

合成了对位取代的1-苯基-1,4-二氢烟酰胺和对位取代的1-苯基-1,2-二氢烟酰胺作为烟酰胺辅酶两种模型物, 分别测定了它们与N-甲基吖啶正离子反应热和活化吉布斯自由能. 通过对其热力学参数和动力学参数的比较发现, 虽然1,2-二氢烟酰胺辅酶模型物与吖啶正离子反应热力学驱动力大于相应的1,4-二氢烟酰胺辅酶模型物与吖啶正离子反应热力学驱动力, 但前者具有很高的活化熵, 从而导致其活化吉布斯自由能反而大于后者. 表明烟酰胺辅酶NADH反应中心结构在其氧化还原循环进化过程中选择1,4-二氢烟酰胺而不是1,2-二氢烟酰胺的根本原因是烟酰胺辅酶反应中心结构二氢吡啶环2位上的氢原子较4位上的氢原子有较大的空间位阻.