3,4-二苯基-4-氧(硫)代-1,3,4-二氮磷杂环戊-2-硫酮的合成、结构及其反应机理研究

本文研究了苯基硫脲、苯基二氯化膦与脂肪醛(酮)在无水苯中进行的类Mannich反应,在分离产物时发现,除了生成3,4-二苯基-4-氧代-1,3,4-二氮磷杂环戊-2-硫酮(Ⅰ)外,还得到了少量3,4-二苯基-4硫代-1,3,4-二氮磷杂环戊-2-硫酮(Ⅱ).根据化合物Ⅱ的生成及³¹PNMR跟踪反应的结果,得出反应机理为P-H键对亚胺衍生物的加成.通过X射线衍射分析发现,化合物Ⅰ和Ⅱ的五元杂环均为平面结构,其平面性受4位氧代或硫代的影响较大.     

苯甲酸乙烯酯与受电子的可逆加成－断链链转移共聚合

采用二硫代苯甲酸苄酯和偶氮二异丁腈组成的引发体系,以可逆加成－断链链 转移聚合方法合成了苯甲酸乙烯酯与马来酸酐及N－取代马来酰亚胺的交替共聚物 。结果表明,所行聚合物具有预期分子量,分子量分布在1.1～1.3之间。在较低转 化率下所得的聚合物均为交替结构,而与摩尔设料比无关。     

含硫有机膦多酸衍生物α–[RP(S)]2PW9O345-(R = –C6H5, –C6H11)的合成及结构表征

In the presence of Bu4NBr acting as phasetransfer reagent, organothiophosphoryl polyoxotungstate derivatives α-[RP(S)]2PW9O54^5- (R=C6Hs, C6H11) have been obtained by reaction of the trivacant β-[PW9O34]^9- anions with electrophilic C6H5P(S)Cl2 or C6H11P(S)Cl2 in acetonitrile. These new organic-inorganic hybrid anions have been characterized by elemental analysis, IR, ^31P and ^183W NMR spectroscopy. The collective application of the spectroscopy data of these new species indicates that the hybrid anion consists of an α-[PW9O34] framework on which are grafted two RP(S) groups through P-O-W bridges. The five-line ^183W spectra indicate that the hybrid anions possess Cs symmetry in acetonitrile.     

2,5-环己二烯酮类的固相光化学(I)

本文报道了4-甲基-4-苯基-2,5-环己二烯酮(A)的固相光化学反应,得 到与液相光化学反应不同的重排产物A~1和A~2.A~1的结构已确证为3-甲基-2-苯基酚,A~2为2-甲基-3-苯基酚.对A的固相光化学机理还进行了初步探讨.     

苯并(a)芘的高效液相色谱荧光分析法的研究Ⅰ

本文对苯并(a)芘的荧光性质进行了研究,建立了苯并(a)芘的高效液相色谱分离荧光检测法.并用于环境水样分析,结果令人满意。     

Spin polarization effect for Co2 molecule

The density functional theory (DFT)(b3p86) of Gaussian 03 has been used to optimize the structure of the Co$_{2}$ molecule, a transition metal element molecule. The result shows that the ground state for the Co$_{2}$ molecule is a 7-multiple state, indicating a spin polarization effect in the Co$_{2}$ molecule. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state is not mingled with wavefunctions of higher-energy states. So for the ground state of Co$_{2}$ molecule to be a 7-multiple state is the indicative of spin polarization effect of the Co$_{2}$ molecule, that is, there exist 6 parallel spin electrons in a Co$_{2}$ molecule. The number of non-conjugated electrons is the greatest. These electrons occupy different spacial orbitals so that the energy of the Co$_{2}$ molecule is minimized. It can be concluded that the effect of parallel spin in the Co$_{2}$ molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell--Sorbie potential functions with the parameters for the ground state and the other states of the Co$_{2}$ molecule are derived. The dissociation energy $De$ for the ground state of Co$_{2}$ molecule is 4.0489eV, equilibrium bond length $R_{\rm e}$ is 0.2061~nm, and vibration frequency $\omega _\e $ is 378.13~cm$^{ - 1}$. Its diatomic molecule force constants $f_2$, $f_3$, and $f_4$ are 2.4824~aJ$\cdot$nm$^{ - 2}$, -7.3451~aJ$\cdot$nm$^{ - 3}$, and 11.2222~aJ$\cdot$nm$^{ - 4 }$respectively(1~aJ=$10^{-18}$~J). The other spectroscopic data for the ground state of Co$_{2}$ molecule $\omega_{\e}\chi _{\e}$, $B_{\e}$, and $\alpha_{\e}$ are 0.7202~cm$^{-1}$, 0.1347~cm$^{-1 }$, and 2.9120$\times $ 10$^{-1}$~cm$^{-1}$ respectively. And $\omega_{\e}\chi _{\e}$ is the non-syntonic part of frequency, $B_{\e}$ is the rotational constant, $\alpha_{\e}$ is revised constant of rotational constant for non-rigid part of Co$_2$ molecule.     

空间瞬态光辐射信号定位系统电路设计与实现

研究并设计了基于光学定位法的空间瞬态光辐射信号定位系统.该系统与能量探测系统协调工作,在能量探测系统识别到目标信号后,经过定位探测、行列编码存储及DSP处理计算,最后输出闪光信号光斑的重心坐标.介绍了系统组成及各部分电路的实现方法,并给出测试结果.实验表明,系统定位准确、设计方案可行.     

多窗口二维实时图象读出系统软件设计

智能化及数字图象分析处理技术已成为开发高级高速摄影及测量仪器的重要途径。本文中作者按照软件工程的观点,以现代窗口软件为基础,对我们研制的新型皮秒扫描相机的多窗口二维图象读出系统软件,从基本设计思想、系统组织结构以至具体实现细节作了阐述,与传统一维图象读出系统软件相比,该系统由于以窗口管理为基础,具有多窗口功能并综合了菜单驱动系统及其它一些高级软件策略;可在二维(甚至三维)空间对研究对象的性态作出定量的测量分析;具有实时性强等特点,在高速摄影领域将得到广泛的应用。     

Unidirectional Transmission in Asymmetrically Confined Photonic Crystal Defects with Kerr Nonlinearity

We investigate the unidirectional transmission behaviour of an asymmetrically confined photonic crystal （PC） defect with Kerr nonlinearity. Basically, the unidirectional transmission originates from the strong dependence of the threshold input power for the sharp increase of transmission on the launch direction of the input wave. This can be well explained in the framework of the coupled mode theory. Our theoretical analysis reveals the existence of an upper limit for the transmission contrast when such a single PC defect is employed. This is supported by the simulation results based on the nonlinear finite-difference time-domain technique.