π-CONJUGATED OLIGOMERS IN SUPRAMOLECULAR CRYSTALS AND THEIR OPTOELECTRONIC FUNCTIONS

Functional organic molecular materials and conjugated oligomers or polymers now allow the low-cost fabrication of thin films for insertion into new generations of electronic and optoelectronic devices. The performance of these devices relies on the understanding and optimization of several complementary processes. Our goal is to discuss the relationship between the molecular stacking structures and their optoelectronic properties that are of importance in all these areas. The concept of intermolecular interaction should be taken here in the special sense that is inter-dipole coupling. Specifically, we will address the impact of inter-dipole interaction between adjacent molecules in aggregate state on the solid-state emission properties.     

稀土胺羧酸配合物的研究 I. {[MnGd(DTPA)(H2O)5]2·H2O}n配合物的合成和晶体结构

本文首次合成了{MnLn(DTPA)(H2O)5]·H2O}n异核链式配合物(Ln=Gd, Er, Y)单晶,测定了{[MnGd(DTPA)(H2O)5]2·H2O]n的单晶结构。     

模拟萃合物二(二甲基甲酰胺)氯化醋酸铀铣UO2(OAc)Cl(DMF)2的结构测定

本文通过对一系列UO2(OAc)Cl.L2类型的化合物进行了化学合成和分子结构的研究,进一步证明协萃化合物是真子的氯化醋酸铀酰而不是氯化铀酰与醋酸铀酰的混合物, 并阐明醋酸根离子与氯离子交换的机理。二(二甲基甲酰胺)氯化醋酸铀酰分子结构的测定显示出在OAc^-和Cl的混合介质中所产生的协同萃取效应。     

INVERSE OPALINE STRUCTURE TITANIA PHOTONIC CRYSTALS BY FUNCTIONALLY MODIFIED COLLOIDAL CRYSTALS TEMPLATING

Ordered macroporous titania photonic crystals （PCs） and photonic balls were fabricated by functional modified polymer colloidal crystals. The TiO2 PCs and balls formed through this method exhibit no cracks and lacunae in large areas on their surface and their inner structures.     

Absolute structure determination using CRYSTALS

A study of post‐refinement absolute structure determination using previously published data was carried out using the CRYSTALS software package. We show that absolute structure determination may be carried out optimally using the analyses available in CRYSTALS, and that it is not necessary to have the separate procedures absolute structure determination and no interest in absolute structure as proposed by Flack [Chimia (2014), 68 , 26–30].     

交流电方法用于单晶n-CdTe光电极性能的研究

本文应用循环伏安法研究了n型碲化镉单晶电极的光致腐蚀行为; 并运用PAR M368电化学阻抗系统测得了此电极在不同电位下的交流复阻抗图, 估算了此电极表面态密度及其它参数。实验结果表明, n-CdTe/液体结具有Sehottky结的特征, 此电极的Fermi能级可能有"钉扎"现象。     

KTiOPO4单晶膜钾离子选择性电极的研究

本文采用KTiOPO4单晶薄片作为离子活性传感膜, 制备了钾离子选择性电极。20℃时, 其线性响应范围为1.2×10^-^5～1.0mol.dm^-^3氯化钾溶液, 平均响应斜率为58mV/-lgak, 对钠离子的电位选择性系数为4.0×10^-^4。该电极的优点是电极斜率受酸度变化影响小, 稳定性和重现性好, 寿命长。     

复杂晶体点阵能的计算方法

我们在考虑了晶体中近邻正.负离子的共价行为的基础上,提出了晶体点阵能的计算公式.并引进了离子有效价态的概念和共价能计算的经验表达式,把二元离子晶体点阵能的计算推广到一般极性共价晶体和其他复杂晶体. 计算结果与实验结果符合得很好.     

[Pb(NTO)~2(H~2O)]的制备, 分子结构和热分解机理的研究

通过3-硝基-1, 2, 4-三唑-5-酮(NTO)的钠盐水溶液与硝酸铅水溶液反应, 制备了标题配合物, 并用TG-DTG、元素分析、13^C NMR分析和红外光谱对它进行了表征。其结构用单晶分析法测定, 所得晶体学参数为: a=0.7284(2), b=1.2166(3), c=1.2310(3)nm, β=90.36(2)°, V=1.0908(4)nm^3, Z=4, D~c=2.96g.cm^-3,μ=156.40cm^-1, F(000)=888; 晶体属单斜晶系, 空间群为P2/n, 最终偏离因子R为0.0667。根据TG-DTG和FT-IR技术得到的分析结果, 提出了线性升温条件下标题配合物的热分解机理。     

含烯烃配体的过渡金属卡宾配合物的研究II.异戊二烯二羰基[乙氧基(苯基)卡宾]铁配合物的异构化产物的合成,波谱和结构研究及四羰基[乙氧基(五氯苯基)卡宾]铁的晶体结构

异戊二烯三羰基铁(1)与芳基锂ArLi(Ar=C6H5,ρ-CH3C6H4,ρ-CH3OC6H4,ρ-CF3C6H4)在低温下反应,再用Et3OBF4烷基化,可获得组成为C5H8(CO)2FeC(OC2H5)Ar的标题化合物的异构化产物(2一5)。当用LiC6Cl5作亲核试剂,在相同条件下与1反应时,只生成已知的配合物(CO4)FeC(OC2H5)C6Cl5(6)。由单晶X射线衍射数据推断出, 2和6的分子结构都属于单斜晶系,Z=4. 2的空间群为C2h[5]-P21/n,a=8.544(2), b=14.494(5), c=12.309(4)`A,β=96.16(2)`;6的空间群为C2h[5]-P21/c, a=14.126(3), b=6.805(1), c=19.182(5)A,β=103.58(2)`. 2和6的结构用SHELXTL直接法程序解出并经块矩阵最小二乘法修正,R分别为0.066和0.043。