三氯乙酸苯胺加合物的制备和晶体结构

制备了具有非线性光学特性的标题加合物,以蒸发法培养出无色透明的、晶形完整的单晶,该晶体在1064nm的Nd3+:YAG调Q脉冲激光束照射下,产生绿色的532nm的倍频光,其倍频光强度约是KDP的3～4倍.以X射线衍射法测定了1:1加合物的晶体结构,晶体学数据为:单斜晶系,Pc空间群,a=0.60457(16)nm,b=1.0940(3)nm,c=0.8667(2)nm,β=104.045(4)°,V=0.5561(3)nm3,Z=2,Mr=256.50,Dc=1.532g/cm3,μ=0.797mm-1,F(000)=260,R1=0.0540,wR2=0.1325.三氯乙酸与苯胺之间存在着质子的转移,二者通过分子间氢键相连接形成稳定的三维氢键网络结构.     

某些非线性光学配合物的晶体结构特征

ⅡＢ族金属卤化物ＭＸ２分别与ＰＯＭ，ＴＳＣ，ＡＴ反应形成了金属有机配合物。在这些配合物中，某些配合物具有 非线性光学特性；较高的熔点；；产大的晶体密度。本文对此做了一些讨论。     

新型有机非线性光学材料L-酒石酸脲晶体生长研究

本文研究了有机非线性光学晶体L-酒石酸脲在过饱和溶液中的成核过程.测定了不同温度下L-酒石酸脲的溶解度和成核诱导期,计算了成核特征参数.讨论了不同温度、过饱和度对L-酒石酸脲成核诱导期的影响.研究表明L-酒石酸脲晶体的成核诱导期随着溶液温度和过饱和度的增大而减少.通过经典成核理论计算了L-酒石酸脲的固液表面张力、成核自由能和临界成核半径等系列成核参数.     

非线性光学晶体δ-LiZnPO4的制备、结构及光学性能

研究了LiF为助熔剂体系下的δ-LiZnPO4的结晶特性,通过自发结晶得到了尺寸为1~3 mm的透明块状δ-LiZnPO4和Li4Zn(PO4)2共晶体,通过PXRD衍射分析和元素分析确定了共晶体的相组成,并对从共晶体中分离出的δ-LiZnPO4晶体结构进行了分析.结果表明:δ-LiZnPO4晶体具有非中心对称结构,属于正交晶系,空间群为Pna21,晶格常数a=1.00085 nm,b=0.49390 nm,c=0.66545 nm,Z=4;δ-LiZnPO4是由PO4、ZnO4和LiO4四面体构筑成的具有类似ABW型分子筛结构的化合物.采用水热法制备了尺寸约为10 μm的纯相透明的δ-LiZnPO4晶体.粉末倍频测试表明,δ-LiZnPO4晶体倍频效应约为KDP的1.7倍,紫外截止边约为218 nm,是一种有潜在应用价值的紫外非线性光学晶体.     

硫属卤化物红外二阶非线性光学晶体材料的研究进展

对二阶红外非线性光学晶体材料的研究是当前激光及非线性光学领域研究的重点、难点和热点之一.由于满足应用需求的材料比较缺乏,很有必要从源头上探索潜在的新型红外非线性光学晶体材料.硫属化合物和卤化物是红外非线性光学晶体新材料探索的主要体系,前者一般表现出大的倍频效应和宽的红外窗口,后者则多具有大的光学带隙,即高的抗激光损伤阈...     

K2Ln(NO3)5·2H2O(Ln=Pr,Nd)的晶体结构和非线性光学性质

本文采用水溶液中生长晶体的方法合成了ＫＬｎＮ的单晶,研究了ＫＰｒＮ的单晶结构及ＫＬｎＮ的非线性光学性质。ＫＬｎＮ均属正交晶系,Ｆｄｄ２空间群。ＫＰｒＮ的晶胞参数为：ａ＝２．１４１１（３）ｎｍ,ｂ＝１．２２１０（１０）ｎｍ,ｃ＝１．２２０８（２）ｎｍ,Ｚ＝６,Ｒ＝０．０２４０,ＫＬｎＮ（Ｌｎ＝Ｐｒ,Ｎｄ）的二次谐波光强与ＫＬｎＮ处于同样的数量级。     

新疆理化所研制出八水合偏酸锂非线性光学晶体材料

近年来,非线性光学晶体在激光技术、大气监测等领域有着重要的应用价值。经过几十年的探索和研究,科研人员对非线性光学晶体材料的研究取得了丰硕的成果,尤其是激光频率转换晶体的研究更为深入,     

有机非线性光学晶体--3.5-二硝基苯甲酸·二乙醇胺

本文进行了3.5-二硝基苯甲酸(3.5-DNBA)与二乙醇胺(DEA)单晶体的形貌分析,和热化学分析;测定了晶体的透过波段与晶体结构,并测试了晶体的二次谐波强度.     

有机非线性倍频晶体间硝基苯甲酸*二乙醇胺的研究

本文报道了间硝基苯甲酸(m-NBA)*二乙醇胺(DEA)单晶体在不同环境下的生长习性以及对该晶体形貌的影响.测定了该晶体及两种原料的红外光谱,同时讨论了晶体的差热分析、透光波段以及初步测定了晶体的二次谐波强度.     

The role of two coordination compounds as novel transparent nonlinear optical crystals

This paper reports the synthesis, structure and properties of two coordination compounds which are transparent in the visible region and show a relatively strong nonlinear optical (NLO) effect. The first crystal, Zn(2-NH₂py)₂CI₂ (2-aminopyridine zinc dichloride, DAZC), shows a SHG (second harmonic generation) effect 8 times as strong as that of KDP. X-ray single crystal structure analysis reveals that the molecule possesses a tetrahedron configuration around the zinc atom, and all the molecules are aligned in an almost fully parallel direction.The second compound, Zn(acac)₂(PhTU) (phenylthiourea zinc diacetylacetate, PZDA), shows a powder SHG effect as strong as 10 times that of KDP. X-ray single crystal structure analysis shows that the molecule possesses a square pyramidal configuration around the zinc ion, and the molecules are aligned almost in a parallel arrangement in the lattice. These two crystals may represent a novel strategy for designing new transparent NLO materials.     

Crystal structure of tris(triphenylsiloxy)borane·triphenylsilanol (1:1) adduct

The title compound crystallizes in the triclinic space group , with a = 14.458(6), b = 14.630(5), c = 14.721(8) Å, = 79.75(2), = 80.11(3), = 80.50(3)°, and Z = 2. The crystal structure consists of molecules of (Ph₃SiO)₃B and Ph₃SiOH linked by an weak B···(silanol) acceptor-donor bond, additionally stabilized by OH(silanol)···O(siloxy) hydrogen bonds. The average B–O, Si–O distances and B–O–Si angle are 1.369, 1.649 Å and 137.2°, respectively.     

Crystal structure analysis of norbornadiene adduct of diphenyl hexamethylenimino phosphiniminocyclotrithiazene

The title compound (C₆H₁₂N)Ph₂P-N S₃N₃ C₇H₈ crystallizes in the monoclinic space group P2₁/n with unit cell dimensions: a = 9.9200(5), b = 16.3316(11), c = 15.7009(17) Å, = 91.99(1)°, and Z = 4. The cyclotrithiazene ring adopts a chair conformation with equal bond distances and the norbornadiene is fused in an exo, exo fashion to the heterocycle. Norbornadiene addition to the cyclotrithiazene influences the bonding pattern in the ring as well as the P N S moiety.     

Organic inclusion complex strategy for designing nonlinear optical crystals for ultraviolet applications

Based on Molecular Engineering and Crystal Engineering concepts, a new method for designing nonlinear optical (NLO) crystal materials, the Organic Inclusion Complex (OIC) method has been demonstrated. In defining an appropriate optical transparent range with respect to the Molecular Engineering method, small organic molecules containing n-π conjugation were selected as “second order harmonic generation (SHG)-active units”(guests). Together with the Crystal Engineering method, chiral molecules were used as “molecular scaffolding” (hosts) to combine with the “SHG-active units” by hydrogen bonds. The former can provide a nonlinear optical effect. The latter leads to the OIC with a noncentrosymmetric structure and are expected to enhance the macroscopic nonlinearity in a synergistic mode of guest and host by inducing the guest molecular dipole alignment as well as other properties, such as thermal stability, mechanical strength and ease of growth. Here, we report two new inclusion complex crystals, urea-(d)tartaric acid (UDT) and urea-(dl)tartaric acid (UDLT) (here, d means dextral and dl means racemic). UDT and UDLT crystals belong to P2,2,2, and P2, space group, respectively. Bulk size crystals with high optical quality were successfully obtained from aqueous solution by using a temperature-lowering method. The experimental results show that these two crystals demonstrate higher NLO effects and shorter wavelength cutoff.     

Synthesis and crystal structure of the <Emphasis Type="Italic">N</Emphasis>-8-(diphenyl-hydroxy-2-aminomethylpyridine)borane

Reaction of 2-aminomethylpyridine with diphenylborinic acid in a mixture of CHCl₃-diethyl ether gives diphenyl-(2-aminomethylpyridine-N,N)borane, a cyclic adduct that in presence of environmental moisture yields the N-8-(diphenyl-hydroxy-2-aminomethylpyridine)borane. The two compounds were characterized by NMR and infrared spectroscopy. The structure of N-8-(diphenyl-hydroxy-2-aminomethylpyridine)borane was confirmed by X-ray diffraction. This adduct crystallizes in monoclinic P2₁/n space group with unit cell dimensions: a = 13.193(2) (Å), b = 5.913(7) (Å), c = 19.604(2) (Å), = 90.295(3), V = 1529.3(3) ų, Z = 4. The BN distance is 1.645(3) Å and lies in the range of a dative bond. The NH and OH groups are involved in intermolecular hydrogen bonds formation and they add to the stabilization of the acyclic adduct in the solid state.     

Crystal structure of the molecular adduct of 5-mono[(4-nitrophenyl)azo]-25,26,27,28-tetrahydroxycalix[4]arene with chloroform (1:1)

The crystal structure of the molecular adduct of 5-mono[(4-nitrophenyl)azo]-25,26,27,28-tetrahydroxycalix[4]arene (2) with chloroform (C₃₄H₂₇N₃O₆ CHCl₃) was determined by X-ray crystallographic analysis. It was found to possess a monoclinic space group P2(1)/n, with a = 15.9306(13) Å, b = 10.6293(9) Å, c = 20.3194(17) Å, = 110.480(2)° and D_calc = 1.428 Mg/m³ for _Z = 4. Crystal data indicated that the calix[4]arene moiety of 2 exists in a distorted-cone conformation with intramolecular hydrogen bonds.     

LBO晶体Ⅱ类相位匹配走离角及互作用长度的计算

从非线性光学理论出发,数值计算了LBO晶体Ⅱ类相位匹配1064 nm光波倍频的走离角及互作用长度.在全匹配角范围内,1064 nm慢、快两光间夹角的范围是0~1.0°,θ≈0°.φ≈90°时,夹角为0°;θ≈45°,φ≈55°时,最大夹角约为1.0°.慢、快两基频光光斑线度相同时,波矢沿θ≈0°,φ≈88°方向入射时,其互作用长度最大.     

利用化学键方法寻找新型光学晶体

利用化学键的观点定量地研究了一些具有各种晶体结构实用材料的介电性质。采用已建立的化学键方法,分析了这些晶体的介电性质与其组成化学键之间的关系。更进一步,基于晶体的化学键方法提出了一个组合方法用于定量确定具有相似晶体结构材料的介电性质。从目前的工作中可以推导出光学晶体非线性起源的结构信息,因此可以在一定程度上帮助人们开展非线性光学晶体工程的研究工作。