若干有机共轭分子二阶非线性光学系数和结构的关系

利用CNDO/S-CI程序计算了四类结构近似的有机共轭分子的二阶非线性光学系数,系统地研究了分子结构、共轭链链长、取代基的电子性质、取代位置等对有机共轭大分子二阶非线性光学性质的影响。研究结果表明,四类化合物的二阶非线性光学性质与其分子结构有着密切的关系。     

二阶非线性光学极化聚合物

本文综述了二阶非线性光学极化聚合物材料研究概况，包括器件对材料的要求、材料的研究进展及目前存在的问题。     

二阶非线性光学聚合物材料

非线性光学材料是一类具有很高实用价值的功能材料。综述了聚合物二阶非线性光学材料的研究、极化聚合物在实用化研究方面取得的新进展,介绍了提高极化聚合物生色团高温取向稳定性、设计合成光损失较小的生色团以及优化聚合物主体的新方法。     

兼具大的二阶光学非线性与良好透明性的有机生色团的分子设计进展

从采用特殊的共轭桥、寻求给受体强度的最佳组合及设计双（多）重电荷转移 分子三方面，综述了近几年来在兼具较大分子一阶超极化率与良好透光范围的有机 二阶非性光学生色团的研究进展。     

纳秒激光闪光光解装置功能扩展──有机非线性材料二阶非线性系数测定

纳秒级激光闪光光解装置可用于有机光化学，光物理过程，瞬态发光和吸收的动力学过程的研究。在不改变原装置整体布局和结构的基础上，建立了有机非线性光学材料的二阶非线性系数测定方法，并为国家８６３专家委员会承担过仲裁测定。     

取代苯分子二阶非线性光学系数的理论计算

用INDO/CI方法研究了苯胺、硝基苯、邻硝基苯胺、间硝基苯胺、对硝基苯胺、2,4-二硝基苯胺的二阶非线性光学极化系数βijk, 用自编程序计算得到的矢量元βx和实验结果相当符合, 表明分子内电子受体和给体之间的电荷转移量和电荷转移的可能性共同决定βx。     

关于二阶非线性光学性质的分子设计研究

在INDO/CI基础上,用完全态求和公式自编程序计算二阶非线性光学系数β_ijk,考察了分子骨架、受电子基团或给电子基团变化对β_x的影响,并设计了最大β_x的化合物、计算结果均与实验值相符。     

二阶非线性光学聚合物材料研究进展

在介绍非线性光学效应和聚合物极化原理的基础上,综述了非线性光学聚合物材料的研究进展。     

染料型有机分子二阶非线性光学性质的分子设计研究

在AM1和INDO/CI方法的基础上,按完全态求和公式编制了计算二阶非线性光学系数β_((?))的程序,并进行了有关分子设计的研究,即在的基础上,考察在苯环和醌环上分别引入不同取代基对二阶非线性光学性质的影响。结论是在苯环上引入推电子基团对增大β有利,引入受电子基团对增大β不利;而在醌环上的结果则相反。对上述结果所反映的规律性在微观上进行了解释。最后设计出两个二阶非线性光学系数较大的分子。     

测定极化聚合物膜的二阶非线性光学系数的新方法──偏振红外光谱法

本文报道在一维刚性取向气体模型基础上用偏振红外光谱测出的极化膜的取向度估算其二阶非线性光学系数α值的方法。方法表明,在目前采用的各种极化方法所能达到的极化效率范围内,取向因子可表示为     

A NOVEL SECOND-ORDER TRANSITION IN ORGANIC HYBRIDS CONSISTING OF POLYMERS AND SMALL MOLECULES

A novel transition appeared above thc glass transition temperature of chlorinated polyethylene (CPE) for binaryblends of CPE and additives such as organic small molecules or oligomers. This transition was assigned to the dissociation ofintermolecular hydrogen bonds between the polymer ard additive within the edditive rich phase. Of particular interest is thata novel pyramid crystal was observed in the annealed CPE/hindered phenol blends. Another intriguing observation is thatthese polymer/small molecule blends organized by intermolecular hydrogen bonding have several potential properties, suchas shape-memorization, self-restoration, self-adhesiveness and super damping.     

某些有机物在溴化银重结晶过程中的作用

卤化银晶体的习性对乳剂的照相性能起决定性作用。因此多年来人们对影响卤化银晶体物理成熟过程的各种因素进行了研究。     

THE REACTIONS OF HYDROXYL RADICAL WITH SOME TRANSITION-METAL COMPOUNDS CONTAINING ORGANIC MOLECULES

Abstract— Recent reports that have appeared in the literature concerning the reactions in aqueous media of hydroxyl radical with some transition-metal compounds containing bound organic molecules are discussed and experimental results on the reactions of hydroxyl radical with some platinum complex ions are presented. Emphasis is placed on the comparison of the behavior of the free ligand relative to that of the complexed and protonated forms. The occurrence of metal-ion complexation can modify to varying degrees the reactivity of organic entities towards hydroxyl radical and the subsequent behavior of the products. The influence of the metal center is considered to involve its Lewis acidity, π-bonding capabilities as well as features such as its formal oxidation state.     

SYNTHESIS AND CHARACTERIZATION OF NOVEL SOL-GEL DOPED ORGANIC／INORGANIC HYBRID NONLINEAR OPTICAL MATERIALS

4-hydroxy-4 ‘-nitro azobenzene (NHA) and 4-amino-4 ‘-nitro azobenzene (DO3) were prepared respectively from p-nitrophenylamine as a precursor compound. Two kinds of doped organic/inorganic hybrid nonlinear optical (NLO) materials containing NHA and DO3 were synthesized by Sol-Gel process. The preparation and properties of two NLO materials were studied and characterized by FTIR, IH-NMR, UV-VIS, SEM, DSC and SHG measurements. The results show that the maximum doping amounts of NHA and DO3 in two doped hybrid NLO materials are 7.2(wt)% and ll.3(wt)% respectively, and the corresponding second-order NLO coefficients (d33values) are 2.91 ×l0^-3esu and 6.14×10 -8 esu. Two doped NLO materials have relatively good RT stability, after 90 days at RT the d33 values can maintain about 85% of their initial values, but after l0h at 100℃ can only maintain about 50% of their initial values. In this report, the reasons for high-temperature instability of doped materials were discussed, and the possible improvements were also suggested.     

SYNTHESIS AND CHARACTERIZATION OF NOVEL SOL-GEL DOPED ORGANIC/INORGANIC HYBRID NONLINEAR OPTICAL MATERIALS

1.INTRODUCTIONInthe21thcentury,thephotoelectrontechnologyisgraduallyreplacingmicroelectronicsone.Todevelopphotoelectronindustryhasbecomethemostcharmingoneinnewcentury,whilenonlinearopticalmaterials(NLO)isjustanimportantphotoelectronicalmedia,andcanbewidelyusedinallfieldsofthephotoelectronindustry.TheopticalpropertiesoftheexistingNLOmaterialsarestillfarfromthenecessaryforthepracticaluseofphotoelectronicdevice.ManypreparationtechnologiesweredevelopedinordertoimprovethequalityofNLOmateria…     

定域分子轨道模型——含H、C、N、O有机小分子的研究

应用STO_(-3)G从头算方法和Fostre-Boys定域化分子轨道程序, 我们研究了20多个有机小分子(含H、C、N,O)的定域化分子轨道, 获得了它们的能量和相互作用参数。采用定域分子轨道模型和统一的参数, 对正醇类分子进行了计算, 与光电子能谱数据比较, 得到的电离能的计算结果是相当令人满意的。     

有机小分子电致发光研究进展

有机电致发光具有发光亮度和发光效率高,材料易加工等传统的无机和液晶显示材料无可比拟的优点,并且可以通过改变分子结构或掺杂调谐发光的颜色.本文评述了近年来有机小分子电致发光材料的研究进展,简要介绍了有机电致发光的原理及其广阔的应用前景.     

氨基氮杂环荧光分子改性苯乙烯马来酸酐共聚物的研究

荧光高分子材料 ,由于其独特光学性质 ,成为功能高分子研究热点[1～ 3 ] .一般而言 ,荧光聚合物的合成有两种方法 ,一是首先合成荧光单体 ,然后与其他适宜单体聚合 ,得到荧光聚合物 ,然而荧光单体结构复杂 ,提纯困难 ,难以获得高分子量、成膜性能好的聚合物[4] ;另一种方法是通过官能团的反应 ,用荧光物质对聚合物进行化学改性来制备[5,6] .苯乙烯 马来酸酐共聚物 (ＳＭＡ)是一类成本低廉 ,性能良好的商品化聚合物材料 ,主链中含有具有反应性能的酸酐基团 ,这就使通过化学改性制备荧光聚合物成为可能 .本文通过 2 氨基苯并咪唑 ( 1 ) ,4 …     

聚合物重氮偶合反应制备二阶非线性光学聚酰亚胺

在合成一种新的二胺单体[2-(N-乙基苯胺基)-乙氧基对苯二胺]基础上,与6FDA(4,4′-(六氟异丙基)-双邻苯二甲酸酐)反应制备了聚酰亚胺先驱聚合物,利用聚合物的后重氮偶合反应将硝基偶氮苯生色团引入到聚合物当中.此方法避免了亚胺化苛刻条件对生色团的影响,在温和条件下能达到高的官能化度.对侧链型偶氮聚酰亚胺材料的二阶非线性光学性能进行了测试,其d33可达39.2 pm/V.     

NONLINEAR MECHANISM OF OCCURRENCE OF THE ATMOSPHERIC TURBULENCE

Using the ergodic theory of chaos and strange attractors, we investigated the truncated spectrum model of Burger's-Chao Ji-ping equation. On the parameter plane (Re, Ri) we calculated and analyzed Lyapunov exponents, entropy, dimension and power spectrum. The results indicate the existence of the atmospheric turbulence. Analysing the evolution of states in the dynamical system with parameters, we found that the occurrence of the atmospheric turbulence passes through the road of limite cycle→torus→chaos in daytime, but through the road of periodic bifurcation at night and the universal constant is Feigenbaum constant.