有机染料阳离子修饰的金属有机框架材料的倍频效应及双光子活性

选取易于制备的MOFs(ZJU-28)为功能性载体,将具有非线性光学性质的2种阳离子染料DB和TM与载体孔道中的二甲胺阳离子进行交换,实现阳离子型有机荧光离子在金属有机框架中定向组装,获得具有非线性光学效应的复合材料。强极性染料离子DB和TM在晶体孔道中的定向排布,改变了原有MOFs晶体的中心对称性。通过共聚焦显微镜观察到,原来不具有非线性光学效应的ZJU-28晶体通过有机阳离子交换后,形成的DB@ZJU-28和TM@ZJU-28复合材料具有较强的倍频效应和双光子荧光。     

A novel 2D Mn(II) dicarboxylate with nanometer channels: hydrothermal synthesis,crystal structures and luminescence properties

A novel two-dimensional supramolecular complex, Mn(HA)₂(H₂O)₂ (1) (H₂A: 9-ethylcarbazole-3,6-dicarboxylic acid) has been prepared by hydrothermal synthetic method and characterized by X-ray single crystal diffraction, IR spectra, elemental analysis and TG analysis. The result confirms that complex (1) crystallizes in the space group C2/c with a = 31.30(2) Å, b = 5.088(4) Å, c = 20.517(14) Å, β = 119.863(9)°, Z = 4, V = 2834(3)ų. The 2D supramolecular open framework (1), which contains 9.773 × 7.447 Å nanometer channels, is constructed through hydrogen bonds and aromatic π ? π interactions. Furthermore, the solid-state fluorescent analyses show that complex 1 exhibits a broad emission with the maximal emission at 416 nm.     

初中化学核心概念相异构想调查研究——以“酸、碱、盐”为例

采用自编的二段式多项选择诊断测验为研究工具,对55名初三学生“酸、碱、盐”核心概念的相异构想进行调查研究,诊断了学生头脑中存在的相异构想并探析了产生这些相异构想的成因和主要来源,为中学化学教师进行概念转变教学及相关研究提供一定的依据和思路。     

采用分子动力学方法研究氯化钠水溶液的微观结构

溶液的微观结构对溶液的宏观性质具有决定性影响,团簇的存在和溶液不均性的认知是该领域研究的重要进展之一,也是关注的热点.为了考察溶液的微观结构,本文采用分子动力学方法对浓度适中的氯化钠水溶液进行了模拟,获得了各原子(离子)间的径向分布函数和溶液的瞬态图像.通过对比分析Na~+-Cl~-和Cl~--Na~+的径向分布函数,并结合已有研究结果,表明该径向分布函数上第三峰也来源于离子对,发现氯化钠水溶液存在着第三种离子对;上述径向分布函数上的三个峰分别与直接接触离子对、部分间隔离子对和完全间隔离子对相对应,并给出了这三种离子对的瞬态图像.三个时刻下系统瞬态图像的分析结果表明,溶液中存在水分子连续分布的区域和由离子与水分子共同构成的离子团簇.各瞬态图像中水分子连续分布的最大区域的平均尺寸至少为1.43 nm,溶液中部分间隔离子对的比例最大,约为0.68.在同时考虑直接接触离子对和部分间隔离子对时,三个时刻中最大团簇尺度的平均值为1.44 nm,该值约为部分间隔离子对最概然尺寸的3倍;团簇尺寸随团簇中离子数的增加而增大,在团簇中离子数较大时,满足无规行走(自由连接链)模型的结果.这些说明氯化钠水溶...     

Synthesis, Crystal Structure, and Spectral Properties of a Novel Co(Ⅱ) Complex Containing Imidazole Derivative

A novel imidazole derivative with functional group and π-conjugated system, 1- [trans-4-(4-diethylaminostyryl)phenyl]imidazole (abbreviated as L), and its CoII complex (CoCl2L4)2 (Co2C168H184N24Cl4, Mr = 2799.05 ) have been synthesized and the crystal structure of the latter was determined by X-ray diffraction. The crystal is of triclinic, space group P with a = 8.823(3), b = 18.799(7), c = 23.065(9) (A), α = 77.349(6), β = 83.128(7), γ = 80.942(3)°,V = 3671.5(12)(A)3, Z = 1, Dc = 1.266 g/cm3, μ = 0.361 mm-1, F(000) = 1482, the final R = 0.0587 and Wr = 0.1284 for 6562 observed reflections with Ⅰ ＞ 2б(Ⅰ). In the molecular structure of (CoCl2L4)2, there are two crystallographically unique units. The CoII atoms are six-coordinated by four N atoms from four imidazole ligands (L) and two Cl atoms to form a distorted octahedral geometry. The optical properties of complex (CoCl2L4)2 have been experimentally studied.     

二茂铁基-双酮锌配合物的合成、电化学活性及多光子吸收

合成了具有推-拉电子(D-A)构型的二茂铁基双酮配体(L)及配合物(NHEt_3)[Zn(L)_3]。晶体结构分析表明,二茂铁双酮脱去一个质子,以烯醇式与Zn~(2+)配位,得到-1价的二茂铁双酮基锌配合物。循环伏安和原位红外电化学方法研究发现,(NHEt_3)[Zn(L)_3]发生了两步氧化和一步还原过程:随着氧化过程中电位的增加,其中1个二茂铁(Fc)配体被氧化成Fc~+,形成D-A不对称结构模式;随着氧化的继续,2个Fc配体也被氧化,3个Fc~+与锌中心仍成D-A结构模式,最后将Fc~+一步还原成Fc。理论计算结果表明,配合物的电子离域程度高,有利于电荷流动。非线性光学实验结果显示,该配合物在近红外区具有大的双/三光子吸收效应和三阶非线性光学极化率。     

Efficient loading of a single neutral atom into an optical microscopic tweezer

A single atom in a magneto–optical trap(MOT) with trap size(hundreds of micrometers) can be transferred into an optical microscopic tweezer with a probability of ～100%. The ability to transfer a single atom into two traps back and forth allows us to study the loading process. The loading probability is found to be insensitive to the geometric overlap of the MOT and the tweezer. It is therefore possible to perform simultaneously loading of a single atom into all sites of the tweezer array for many qubits. In particular, we present a simulation of the one-dimensional and two-dimensional arrays of an optical microscopic tweezer. We find the same qualitative behavior for all of the trap parameters.     

有机染料阳离子修饰的金属有机框架材料的倍频效应及双光子活性

选取易于制备的MOFs（ZJU-28）为功能性载体,将具有非线性光学性质的2种阳离子染料DB和TM与载体孔道中的二甲胺阳离子进行交换,实现阳离子型有机荧光离子在金属有机框架中定向组装,获得具有非线性光学效应的复合材料。强极性染料离子DB和TM在晶体孔道中的定向排布,改变了原有MOFs晶体的中心对称性。通过共聚焦显微镜观察到,原来不具有非线性光学效应的ZJU-28晶体通过有机阳离子交换后,形成的DB@ZJU-28和TM@ZJU-28复合材料具有较强的倍频效应和双光子荧光。     

烷氧基三联吡啶钌配合物的合成、结构及其与DNA相互作用

制备了2种含长基链的烷氧基三联吡啶和2,2''-联吡啶配位的钌配合物（Ru-Cl、Ru-NCMe）,通过质谱、核磁和单晶X射线衍射分析等进行了表征。从它们的晶体结构可以发现Ru-Cl配合物中第6个配位点为Cl-离子,在Ru-NCMe配合物中的第6个配位点为乙腈分子中的N原子。通过紫外可见吸收光谱和荧光光谱研究了这2种配合物与多种氨基酸和DNA的作用,发现这种长烷基链和刚性配位平面的配合物与DNA具有明显的特异性识别效应,进一步研究发现它们与DNA以插入方式和静电作用结合,实验与理论模拟结果一致。     

Hydrothermal synthesis,structure and properties of a novel Zn(II) dicarboxylate containing nanometer channel by significant hydrogen bonds and π–π interactions

A two-dimensional supramolecular complex, [Zn(HA)₂(hmta)] · 2H₂O (1) (H₂A: 9-ethylcarbazole-3,6-dicarboxylic acid, hmta: 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane), has been prepared by hydrothermal synthesis and characterized by IR spectra, elemental analysis, TG analysis. The result of single crystal X-ray analysis revealed that the 2D supramolecular open framework contains 9.932 × 12.059 Å channels formed by significant hydrogen bonds and π–π interactions. Furthermore, the solid state fluorescent determinations show that the complex exhibits a strong emission band at 432 nm.