Theoretical Investigation on the Luminescent Properties of Polyfluorene and Poly（fluorene-co-thiophene）

The density functional theory was employed to study the structures, ionization potentials(IPs), electron affinities(EAs), and HOMO-LUMO gaps(ΔH-L) of the oligomers. The time-dependent density functional theory(TD-DFT) and ZINDO were employed to study the lowest excitation energies(Egs) and the absorption and emission spectra of the oligomers of polyfluorene(PF) and poly(fluorene-co-thiophene)(PFT). By extrapolating ΔH-L and Egs to those of infinite chain length, band gaps and effective conjugation lengths o...     

Synthesis and Properties of Novel Poly（amine ether）s

Using aromatic bis（4-bromophenyl） ether and various aromatic diamines as the monomers, a series of novel poly（amine ether）s （PAEs） have been synthesized via palladium-catalyzed aryl amination, which is the Hartwig-Buchwald polycondensation reaction. Their structures were characterized by means of elemental analysis, FT-IR, 1^H NMR and UV-Vis spectroscopy. The results show a good agreement with the proposed structures. Their general properties were studied by DSC and TG and it＇s obvious that they show high glass transition temperatures （Tg〉200 ℃）, good thermal stability with high decomposition temperatures （TD〉500℃） and excellent solubility. The mechanical behavior of these polymers suggested that they could be considered a new class of high-performance polymers.     

Synthesis and Thermal Crosslinking Behavior of Poly（aryl ether ketone）s Containing 1,4-Naphthalene Moieties

A new monomer, 1,4-bis(4-fluorobenzoyl) naphthalene (compound 2) was synthesized via a two-step reaction. 1,4-Naphthalenedicarboxylic acid chloride (compound 1) was prepared by using the acyl chlorization reaction of 1,4-naphthalenedicarboxylic acid with thionyl chloride. The Friedel-Crafts acylation of compound 1 with fluorobenzene afforded compound 2 in a 80% yield. The polycondensation of compound 2 with various bisphenols in tetramethylene sulfone(TMS) in the presence of excess potassium carbonate as a condensation reagent was carried out at 210℃ to quantitatively afford the corresponding poly(aryl ether ketone)s (compounds 3-8) containing 1,4-naphthalene moieties. Thermal analyses showed that the polymers have Tg values ranging from 496 to 500 K and are thermally stable in air with initial mass loss above 500℃. These novel polymers exhibited an excellent solubility in organic solvents including NMP, DMAc, and chloroform, etc. In addition, the glass transition temperatures of these polymers increased and the polymers became insoluble in chloroform after treated at 260℃, indicating the occurrence of a thermal crosslinking reaction.     

Blends of Poly（lactic acid） with Thermoplastic Acetylated Starch

Blends of poly(lactic acid)(PLA) and thermoplastic acetylated starch(ATPS) were prepared by means of the melt mixing method. The results show that PLA and ATPS were partially miscible, which was confirmed with the measurement of Tg by dynamic mechanical analysis(DMA) and differrential scanning calorimetry(DSC). The mechanical and thermal properties of the blends were improved. With increasing the ATPS content, the elongation at break and impact strength were increased. The elongation at break increased from...     

Synthesis,Crystal Structure and Nonlinear Optical Properties of Nickel（Ⅱ） Complex with Schiff—base Ligand

1 INTRODUCTION Recently, the transition metal complexes and inorganic clusters have also been investigated as promising nonlinear optical materials[1～3]. In our past work, much more efforts have been made to find potential nonlinear optical derived from thiosemicarbazone and dithio-carbazates[4]. As a continuous study on new nonlinear optical materials among the -electron delocalized systems con- taining mixed sulfur and nitrogen donors[5, 6], we report herein the crystal structure and…     

Design and Synthesis of Transparent Poly （acrylonitrile-butadiene-styrene） and Relationship Between Its Phase Construction and Transparency

IntroductionABS resins have been widely applied to the field ofengineering materials because of their excellent me-chanical,electrical,physical,and chemical proper-ties.Typically,ABS resins comprise a rigid copolymermatrix-phase dispersed in a graft copol…     

Synthesis of Poly[（3-octanoylpyrrole-2,5-diyl）-p-nitrobenzylidene] and Its Third-order Nonlinear Optical Property

Introduction Nonlinearoptical(NLO)organicpolymers havereceivedincreasingattentionbecauseoftheir excellentbehaviorandgoodprospectsforapplica- tiontohightechnologiessuchasopticalcommuni- cation,highdensityopticalstorageandall-optical informationprocess[1_4].Thepoly[heteroarylene- methines]andtheirderivativesareregardedaspo- tentiallyapplicativeNLOmaterials[5_8],buttheir solubilityandfilm-formingperformancearenot goodwhichisabottleneckproblemfortheapplica- tionofthesepolymers.Inthisstudy,anovel…     

Synthesis, Structure and Luminescent Properties of a New Terbium（Ⅲ） Complex with 5-Bromoisophthalic Acid

The self-assembly of 5-bromoisophthalic acid (H2BIPA) with Tb(NO3)3·6H2O under hydrothermal conditions gives rise to a 3D coordination polymer, [Tb2(BIPA)3(CH3CH2OH)]n (1), which was characterized by elemental analysis, IR and single-crystal X-ray diffraction. The crystal is of monoclinic system, space group P21/c with a = 19.2591(17), b = 8.2537(7), c = 18.5663(17), β = 104.4720(10)°, V = 2857.6(4)3, C26H15Br3O13Tb2, Mr = 1092.95, Dc = 2.540 g/cm3, F(000) = 2040, μ = 9.173 mm-1 and Z = 4. The final R = 0.0324 and wR = 0.0767 for 5299 observed reflections (I > 2σ(I)). Complex 1 displays an unusual three-dimensional (4,6)-connected network with (48.66.8)2(44.62)2(42.84) topology, which is different from [Tb(HBDC)(BDC)(H2O)4]·3.3H2O (BDC = isophthalate) because the -Br substituent of isophthalate results in different electronic effect and steric hindrance to change the coordination modes of carboxylate groups in the assembly process. Moreover, luminescent properties of 1 have also been investigated in the solid state.     

Synthesis and Crystal Structure of Zn（Ⅱ） Complex with 2-Aminopyridine and Acetylacetone

1 INTRODUCTION As one kind of compound with extensive phy- siological and pharmacology activities[1], 2-amino- pyridine is easy to form complexes, and some of which may catalyse hydrolysis of ester[2]. Acetyl- acetone is an useful intermediate in the synthesis of sulfanilamide, additive and catalyst[3]. Complexes containing acetylacetone take on excellent lumines- cent properties[4]. To be an active center of some sig- nificant enzymes[5, 6], zinc takes the form of its su- pramolecular co…     

非共价键自组装制备聚对苯撑乙炔/聚丙烯酸水溶性荧光纳米粒子及其光物理行为研究

通过功能化聚对苯撑乙炔(含羟基与氨基)和聚丙烯酸之间的非共价键自组装制备了一系列含共轭聚合物的水溶性荧光纳米粒子, 并进行了相关结构和光学性质表征. 研究表明, 纳米粒子的大小和聚丙烯酸/聚对苯撑乙炔质量比直接相关. 光物理性质研究表明, 形成水溶性纳米粒子后, 疏水的聚苯撑乙炔链在纳米粒子中易于形成π-链间聚集, 其光物理性质与其在薄膜态时相似.     

Allyl-containing Poly(aryl ether sulfone): Synthesis and Crosslinking

A novel type of crosslinkable poly(aryl ether sulfone)(PAES) bearing an allyl pendant(PES-OAllyl) was synthesized by a grafting reaction of hydrophenyl-containing PAES(PES-OH) and allyl bromide. PES-OH was prepared by a demethylation reaction of a methoxyphenylated PAES(PES-OCH3) in the presence of pyridine/hydrochlo- ride. The PES-OCH3 was synthesized by an aromatic nucleophilic substitution of bis(4-chlorophenyl)sulfone and (p-methoxy)phenylhydroquinone. Both DSC and solubility investigation were used to ...     

苯乙炔封端的可交联含氟聚芳醚的合成及性能

从光电集成器件对于材料性能的需要出发 ,我们相继合成了一系列可溶性的含氟聚芳醚和聚芳醚酮[1～ 5] .为了满足器件的多层化制备过程以及使器件成型后具有优异的性能 ,本文在间三氟甲基苯取代的聚芳醚 (1 1 F- PAE)中引进可交联的苯乙炔端基 ,合成了可热交联的高含氟量聚芳醚 ,并对其性能进行了初步研究 .1　实验部分1 .1　试剂与仪器　 4-苯乙炔苯酚 (PEP)按文献 [6 ]方法制备 ;3 -氟甲基苯代对苯二酚 (3 F- PH)按文献[2 ]方法制备 ;十氟联苯 ,Aldrich公司 ,99%;无水碳酸钾 ,A.R.级 ,天津化学试剂厂 ;甲苯 ,A.R.级 ,北京化工厂 ;N-…     

含苯乙炔基的可交联聚芳醚酮交替共聚物的合成与热性能

以耐高温高性能树脂-聚芳醚酮作为研究对象, 从改善材料的加工工艺性及提高材料的使用温度出发, 对含有苯乙炔基的交替共聚物进行了系统研究. 实验结果表明, 该系列聚合物固化前具有较好的溶解性, 固化过程中显示出较好的热稳定性, 固化后具有较高的玻璃化转变温度和优异的热稳定性与热氧稳定性, 且降低聚合物的分子量没有对固化物的热性能产生明显影响, 在高性能复合材料基体树脂方面具有潜在的应用价值.     

可生物降解聚酯的合成和交联产物性质研究(英)

由丙三醇、丙交酯和反丁烯二酸制得一含碳碳双健的低分子量聚酯。该聚酯由于存在不饱和键,可热引发或引发剂引发交联,可望成为环境友好材料或生物降解复合材料领域的一个有用的热固性树脂。     

可交联含氟聚醚醚酮的合成

聚醚醚酮 (PEEK)是一种耐热等级高、耐化学药品、耐辐射并有优异的电性能及机械性能的特种工程塑料 .由于其综合性能优异 ,PEEK在航空航天、通信、电子和机械化工等领域获得成功应用 [1] .含氟芳香聚合物以其独特的性能而成为低介电常数微电子和低损耗光波导器件极具潜力的材料 [2 ] .聚合物良好的溶解性虽对光电集成电路的加工十分重要 ,但也要满足多层化操作过程 ,还要考虑器件成型后的抗化学药品性 .因而 ,在聚合物中引入可交联组分是必要和可行的方法 .另外 ,交联后的聚合物将有更高的玻璃化转变温度 (Tg)、更好的尺寸稳定性和防开…     

聚偏二氟乙烯晶体的电子结构和光学性质

利用含Tkatchenko-Scheffler(TS)色散修正的密度泛函理论的第一性原理方法对九种聚偏二氟乙烯(PVDF)晶相的电子结构和光学性质进行了计算. 结果表明,PVDF晶体作为一种绝缘体,能带具有密集且平直等特征,其带隙值在6.05-7.34 eV之间,且和实验值接近. 价带主要是F原子的2s和2p态起主要贡献,导带主要由C原子的2p态和H原子的1s态共同参与构成. 在0-35 eV光子能量范围内,介电函数、吸收率、反射率和折射率等光学性质发生变化主要在深紫外区域. 根据介电函数等光学参数的谱特点,可以将九种PVDF的晶相划分为{Ⅰ_p},{Ⅱ_pu},{Ⅱ_au,Ⅱ_ad,Ⅱ_pd,Ⅲ_pu},{Ⅲ_au,Ⅲ_ad,Ⅲ_pd}等四类,每一类都具有相似的光学参数特点.     

可交联PVC的合成及其交联反应

N,N-二乙基二硫代氨基甲酸钠(铜试剂,简称NasR)取代PVC链中的部分氯原子,制得不同官能度的功能高分子PVC-SR.在热的作用下,实现了PVC-SR的自交联和PVC-SR/NBR共混体系的共交联.研究了温度、铜试剂用量对取代反应的影响及PVC-SR官能度对交联反应硫化曲线、产物的凝胶含量、玻璃化温度、拉伸性能和压缩永久变形的影响,并初步探讨了交联反应机理.     

含4-叔丁基环己基和烯烃共轭结构的双苯并噻唑类聚合物的合成及性能

一类新型的含4-叔丁基环己基和烯烃共轭结构的双苯并噻唑类聚合物PBTs III1,2由1,1’-双(4-氨基-3-巯基苯基)-4-叔丁基环己烷二盐酸盐(BAMPBCH?2HCl)与烯烃二元酸经过缩聚反应制备得到。聚合物的结构都经过了红外(IR)、核磁(NMR)、元素分析(EA)的表征。4-叔丁基环己基的引入提高了此类聚合物的溶解性并保持了较好的热稳定性,失重10%的温度在419 oC以上。相比聚苯撑苯并双噻唑(PBZT),PBTs III1,2的紫外吸收波长发生了蓝移,相对聚2,2’-对苯撑-6,6’-(4-叔丁基)环己基双苯并噻唑(PBT)则发生了红移,光学能带隙分别为2.56eV和2.53eV,大侧基和烯烃结构的引入扩大了苯并噻唑类聚合物光学能带隙的可调范围。PBTs III1,2的荧光发射波长较PBT发生了红移,大侧基的引入降低了固态时聚合物分子链的聚集程度。顺磁共振(EPR)的结果表明,PBTs III1,2都有明显的顺磁共振信号,顺磁中心是它们本身所固有的。     

Cu2+对不同相形态中聚3-己基噻吩光学性质的影响

用紫外-可见吸收光谱和荧光光谱方法研究了Cu2+分别与稀溶液、分散液和薄膜三种体系中的聚3-己基噻吩(P3HT)的相互作用. 结果表明, P3HT的相形态对其相互作用有重要影响. 在四氢呋喃的稀溶液中, P3HT与Cu2+的溶剂化程度都很高, 它们之间几乎不存在化学作用; 在分散液中, P3HT形成聚集的颗粒, Cu2+的加入产生较弱的氧化掺杂, Cu2+部分进入到分散颗粒中; 在P3HT的薄膜中, Cu2+使链的共轭长度变短, 引起光吸收蓝移.