Sc:In:Fe:LiNbO3晶体的生长及全息关联存储的研究

在Fe:LiNbO3中掺进Sc2O3和In2O3采用Czochralski技术生长Sc:In:Fe:LiNbO3晶体.测试Sc:In:Fe:LiNbO3晶体的红外光谱和抗光致散射能力.Sc(1mol;):In(2mol;):Fe:LiNbO3晶体OH-吸收峰移到3508cm-1,抗光致散射能力比Fe:LiNbO3晶体提高二个数量级.对Sc(1mol;):In(2mol;):Fe:LiNbO3晶体OH-吸收峰移动机理和抗光致散射能力增强的机理进行讨论.以Sc(1mol;):In(2mol;):Fe:LiNbO3晶体作存储元件,以Cu:KNSBN晶体作为位相共轭镜进行全息关联存储,试验结果表明全息关联存储的成象质量高、图象清晰完整、噪音小.     

Zn:Fe:LiNbO3晶体的生长及其光学性能的研究

在LiNbO3中掺进ZnO和Fe2O3,以Czochralski技术生长Zn(7mol;):Fe(0.03;):LiNbO3,Zn(3mol;):Fe(0.03;):LiNbO3和Fe(0.03;):LiNbO3晶体.测试晶体的吸收光谱,Zn:Fe:LiNbO3晶体的吸收边相对Fe:LiNbO3晶体发生紫移.测试晶体的红外光谱,Zn(7mol;):Fe:LiNbO3晶体OH-吸收峰移到3529cm-1.测试晶体抗光致散射能力,Zn(3mol;):Fe:LiNbO3晶体抗光致散射能力比Fe:LiNbO3晶体提高一个数量级,Zn(7mol;):Fe:LiNbO3晶体比Fe:LiNbO3晶体高二个数量级.测试晶体的衍射效率和响应时间,Zn:Fe:LiNbO3晶体响应时间缩短,衍射效率降低.对吸收边和OH-吸收峰移动的机理,以及Zn:Fe:LiNbO3晶体抗光致散射能力增强的机理进行了研究.     

不同Li／NbZr：Fe：LiNbO3晶体的生长及光折变效应的研究

采用Czochralski技术生长不同Li/Nb双掺杂Zr:Fe:LiNbO3晶体,测试了晶体的光学均匀性和抗光折变能力.Zr:Fe:LiNbO3晶体双折射梯度比Fe:LiNbO3晶体降低一个数量级,抗光折变能力比Fe:LiNbO3晶体提高一个数量级,发现Zr4 在LiNbO3中具有抗光折变能力.采用二波耦合光路测试不同Li/Nb的Zr:Fe:LiNbO3晶体的衍射效率、响应时间、擦除时间并计算了动态范围和灵敏度,Zr:Fe:LiNbO3晶体的响应速度,灵敏度和动态范围都比Fe:LiNbO3晶体高,它的全息存储性能优于Fe:LiNbO3晶体.     

Scx:Fey:Cuz:LN晶体的生长及非挥发性全息存储的研究

本文首次采用Czochralski法生长优质的Scx:Fey:Cuz:LN (x=0,1;, 2;, 3;, 3.5;, y=0.1;, z=0.06;)晶体.测试了晶体抗光致散射能力,以二波耦合光路测试晶体的衍射效率、写入时间和擦除时间,计算光折变灵敏度和动态范围.结果表明:Sc(2mol;):Fe:Cu:LN和Sc(3mol;):Fe:Cu:LN晶体抗光致散射能力比Fe:Cu:LN晶体高两个数量级以上,Scx:Fey:Cuz:LN晶体的写入速度、光折变灵敏度和动态范围等全息存储性能优于Fe:LN晶体.首次采用氪离子激光(482.0 nm,蓝光)作开关光,氦氖激光(632.8 nm,红光)做记录光,以Sc:Fe:Cu:LN晶体作为双光子全息存储记录介质,实现了双光子全息存储固定(非挥发性全息存储).     

In:Er:LiNbO3晶体生长及光损伤性能研究

在LiNbO3晶体中掺入In2O3和Er2O3,利用提拉法生长了In:Er:LiNbO3晶体,获得了In和Er在晶体中的分凝系数.通过测试晶体的吸收光谱和抗光损伤能力,确定In:Er:LiNbO3晶体中In的掺杂阈值浓度为～3mol;,In(3mol;):Er:LiNbO3晶体的抗光损伤能力比Er:LiNbO3提高3个数量级以上.研究了In的掺入使Er:LiNbO3晶体的吸收边移动和抗光损伤能力提高的机理.     

Mg:In:Er:LiNbO3晶体生长及波导基片光损伤的研究

在LiNbO3中掺进MgO,In2O3,Er2O3以Czochralski技术系统生长了Mg(3mol;):In(1mol;):Er(1mol;):LiNbO3,Mg(3mol;):In(2mol;):Er(1mol;):LiNbO3,Mg(3mol;):In(3mol;):Er(1mol;):LiNbO3晶体.Mg(3mol;):In(3mol;):Er(1mol;):LiNbO3晶体荧光光谱表明4I13/2→ 4I15/2(1.53μm)易实现激光振荡.采用质子交换工艺制作Mg:In:Er:LiNbO3晶体波导基片并以m线法研究Mg:In:Er:LiNbO3晶体波导基片的光损伤.发现抗光损伤能力依次为:Mg:In(3mol;):Er:LiNbO3＞Mg:In(2mol;):Er:LiNbO3＞Mg:In(1mol;):Er:LiNbO3>Er:LiNbO3.以锂空位模型研究Mg:In:Er:LiNbO3晶体抗光损伤能力增强的机理.     

激光晶体Zr∶Yb∶LiNbO3的生长及光谱性质研究

采用Czochralski技术分别生长了双掺Zr4+(1mol;,2mol;,3mol;)和Yb3+(0mol;,1mol;,1mol;)的Zr∶Yb∶LiNbO3晶体.测试了晶体的XRD图谱并与标准图谱进行了比较.测量了晶体的红外透射光谱,OH-的振动吸收峰分别位于3485 cm-1、3488 cm-1和3488 cm-1,当Zr4+浓度达到2mol;以后,继续增大Zr4+浓度,OH-的振动吸收峰不发生移动.研究了晶体的室温吸收、发射光谱和荧光寿命特性,表明Zr∶Yb∶LiNbO3晶体是一种潜在的可用来发展具有抗光损伤的新型激光晶体材料.     

In:Ce:Cu:LiNbO3晶体的生长及存储性能研究

在Ce∶Cu∶LiNbO3晶体中掺进In2O3,用CZ法首次生长In∶Ce∶Cu∶LiNbO3晶体.对晶体的抗光折变能力、红外光谱、指数增益系数、衍射效率和响应时间进行了测试,结果表明:In(3mol;)∶Ce∶Cu∶LiNbO3晶体的抗光折变能力比Ce∶Cu∶LiNbO3提高两个数量级,其OH-吸收峰由LiNbO3的3484 cm-1移到3508 cm-1,响应速度比Ce∶Cu∶LiNbO3晶体快三倍.对In∶Ce∶Cu∶LiNbO3晶体抗光折变能力提高的机理、红外光谱OH-吸收峰紫移的机理进行了研究.     

Li/Nb比变化对Ce：Fe：LiNbO3晶体的光折变性能的影响

在LiNbO3晶体中掺进0.1wt?O2和0.03wt?2O3以Czochralski技术生长不同Li/Nb比(0.94、1.20、1.40)Ce:Fe:LiNbO3晶体,其中Li/Nb=1.40的Ce:Fe:LiNbO3晶体是化学计量比.测试了不同Li/Nb比Ce:Fe:LiNbO3晶体抗光损伤能力,得到随着Li/Nb比的增加,晶体的抗光损伤能力增加.研究了晶体抗光损伤能力增强的机理.随着Li/Nb比的增加,晶体的响应速度和光折变灵敏度增加.测试不同Li/Nb比Ce:Fe:LiNbO3晶体位相共轭效应,利用产生的位相共轭光波消除图像的位相共轭畸变.利用Li/Nb=1.40的Ce:Fe:LiNbO3晶体做记录介质,Li/Nb=1.20的Ce:Fe:LiNbO3晶体作位相共轭镜进行全息关联存储实验.实验结果表明,存储系统具有实时处理,成像质量好,信噪比高和可反复使用的优点.     

Zn∶In∶LiNbO3晶体抗光损伤性能的研究

在LiNbO3中掺进ZnO和In2O3以Czochralski技术生长Zn∶In∶LiNbO3晶体.采用光斑畸变法测试Zn∶In∶LiNbO3晶体抗光损伤能力.Zn∶In∶LiNbO3晶体抗光损伤能力比LiNbO3晶体提高二个数量级.测试晶体的红外光谱,Zn∶In∶LiNbO3晶体吸收峰的位置相对LiNbO3晶体发生紫移,且随着Zn2+和In3+浓度增加紫移程度增加.晶体的倍频性能(相位匹配温度和倍频转换效率)研究表明:Zn∶In∶LiNbO3晶体相位匹配温度在室温附近.并研究了Zn∶In∶LiNbO3晶体抗光损伤机理和OH-吸收峰紫移的机理.     

Triethyl ammonium salt of O,O′-bis(p-tolyl)dithiophosphate, [Et3NH]+[(4-MeC6H4O)2PS2]−

Triethyl ammonium Salt of O,O′-bis(p-tolyl)dithiophosphate and O,O′-bis(m-tolyl)dithiophosphate have been obtained by reaction of p- and m-cresol, respectively with P₂S₅ in toluene and have been characterized by elemental analysis, IR, ¹H and ³¹P NMR spectroscopy. The molecular structure of O,O′-bis(p-tolyl)dithiophosphate has been determined. Crystal data: [Et₃NH]⁺[(4-MeC₆H₄O)₂PS₂]⁻: Monoclinic, P2₁/c, a=15.2441(9) ?, b=10.415(2) ?, c=3.9726(9) ?, β=91.709(7)°, V=2217.5(1) ?⁻³, Z=4.Supplementary materials Additional material available from the Cambridge Crystallographic Data Centre (CCDC no. 600927 for [Et₃NH]⁺[(4-MeC₆H₄O)₂PS₂]⁻ comprises the final atomic coordinates for all atoms, thermal parameters, and a complete listing of bond distances and angles. Copies of this information may be obtained free of charge on application to The Director, 12 Union Road, Cambridge CB2 2EZ, UK (fax: +44-1223-336033; email: deposit@ccdc.cam.ac.uk or www:http://www.ccdc.cam.ac.uk).     

First-principles coexistence simulations of supercooled liquid silicon

We perform first-principles coexistence simulations of the low-density and the high-density phases of supercooled liquid silicon and find a negative slope for the coexisting line in the temperature-pressure plane. Electron density maps and electron-localization function plots of the two phases of silicon show marked differences. The calculated differences suggest more localized electrons in the low-density liquid compared to the high-density liquid, coming from an increased population of covalent bonds, which further explain the calculated negative slope in the two phase coexistence regime. This is consistent with the presence of a pseudo-gap in low-density liquid silicon, absent in the high-density liquid which shows a metallic behavior.     

Crystal structures of thecis andtrans isomers of dithiahexahydro[3.3]metacyclophane

Structures of both thecis andtrans isomers of dithiahexahydro[3.3]metacyclophane, ?C₆H₄?CH₂SCH₂?C₆H₁₀?CH₂SCH₂?, have been determined, wherecis andtrans refer to the attachments to the cyclohexane ring. Thecis form crystallizes in the monoclinic space groupP2₁/c witha=8.4299(11)Å,b=21.772(2)Å,c=8.9724(13)Å, β=116.574(11)^o, andZ=4. Thetrans isomer packs into the monoclinic space groupP2₁ witha=8.159(16)Å,b=10.185(5)Å,c=9.558(2)Å, β=112.435(18)^o, andZ=2. The cyclohexane ring of thecis isomer is in the chair conformation, while the cyclohexane of thetrans isomer is found in a twisted boat conformation.     

CTAB与SDBS对碳酸锶粒子生长形态调控及机理研究

以表面活性剂CTAB和SDBS为化学添加剂,采用化学共沉淀法对碳酸锶晶体的生长形态进行调控,成功地制备出了实心的树枝状和花瓣为空心的花状碳酸锶粉体,并用X射线衍射(XRD)、扫描电子显微镜(SEM)和傅里叶变换红外光谱(FT-IR)等分析手段对样品进行了表征;最后重点对化学添加剂可能产生的影响机理进行了初步的探讨.结果表明,CTAB和SDBS在晶体生长的过程中能起到显著的影响作用,两者对粒子分散性能的作用效果相反,而且后者对晶体(013)和(213)晶面表面能降低的贡献明显大于前者.     

Crystal structure of Zn4Na(OH)6SO4Cl·6H2O

The structure of Zn₄Na(OH)₆SO₄Cl·6H₂O, a secondary mineral from Hettstedt, Germany, was determined by single-crystal X-ray diffraction. The crystals are hexagonal,a=8.413(8),c=13.095(24) Å, space group $P\bar 3$ , Z=2. The structure was refined to R=0.0554 and R_w=0.0903 for 970 reflections with I≥3σ(I). The structure can be described as zinc hydroxide layers perpendicular toc, from which sulfates and chlorides extend. The layers are held together by a system of hydrogen bonds involving hexaaquo Na⁺ ions which occupy the interlayer space.     

Synthesis and Crystal Structure of 5-[2-(6-bromonaphthalenyloxymethyl)]-3-(4-morpholinomethyl)-1,3,4-oxadiazole-2(3<Emphasis Type="Italic">H</Emphasis>)-thione

Abstract  The title compound, C₁₈H₁₈BrN₃O₃S, a derivative of 1,3,4-oxadiazole, crystallizes in the triclinic space group P-1 with unit cell parameters a = 6.8731(3), b = 8.9994(4), c = 15.7099(6) ?, α = 92.779(3)°, β = 130.575(3)°, γ = 107.868(4)°, Z = 2. The dihedral angle between the mean planes of the planar naphthyl and morpholine (chair) rings with the planar oxadiazol ring is 50.1(8) and 76.8(6)°, respectively. The planar naphthyl ring is twisted 52.2(5)° with the mean plane of the morpholine ring. A group of four intermolecular close contacts are observed between a bromine atom and hydrogen atoms from the closely packed naphthyl, morpholine and oxy–methyl groups in the unit cell. These molecular interactions in concert with an additional series of π–π stacking interactions that occur between the center of gravity of the two 6-membered rings of the naphthalene group influence the twist angles of each of these three groups. A MOPAC AM1 calculation of the conformation energy of the crystal structure [226.0128(9) kcal] compared to that of the minimum energy structure after geometry optimization [29.9744(1) kcal] reveals a significantly reduced value. The twist angles of the three groups above also change after the AM1 calculation giving support to the influence of both intermolecular C–H···Br short-range interactions and Cg π–π stacking interactions on these angles which therefore play a role in stabilizing crystal packing. Graphical Abstract  Crystal structure of 5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2(3H)-thione, C₁₈H₁₈BrN₃O₃S, is reported and its geometric and packing parameters described and compared to a MOPAC computational calculation. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Crystal structure of irisolidone from the flowers of Pueraia lobata

Irisolidone (5,7-dihydroxy-6,4′-dimethoxyisoflavone) was isolated from the flowers of Pueraia lobata and its crystal structure was examined by X-ray single crystal diffraction. The crystal structure of irisolidone is monoclinic, space group P2₁/c with a = 15.491(9) ?, b = 7.895(4) ?, c = 13.321(7) ?, β = 110.546(9)° and Z = 4. Hydrogen bonding and aromatic π–π stacking assemble the title compound into a three-dimensional networking structure.     

Synthesis of spinacine and spinacine derivatives: crystal and molecular structures of Nπ-hydroxymethyl spinacine and Nα-methyl spinaceamine

The natural amino acid L-Spinacine (4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid) has been synthesized following a new pathway which gives a chemically and optically pure product with an excellent yield. The crystal structures of a synthetic intermediate, N^π-hydroxymethyl-spinacine, and a spinacine derivative, N^α-methyl-spinaceamine, have been investigated through X-ray diffraction: Spi(πMeOH)·H₂O, monoclinicP2 _i,a=8.571(1),b=6.682(1),c=8.588(1) Å, and β=94.67(1)^o. Spm(αMe)·2HCl·H₂O, triclinicP l,a=7.492(4),b=10.799(3),c=7.040(2) Å, α=91.88(2), β=98.36(3) and γ=73.34(3)^o. Spi(πMeOH) crystallizes with a water molecule and displays a zwitterionic character. The carboxylate group is in equatorial position and forms a short electrostatic interaction of 2.618(2) Å between one of its oxygens and the protonated nitrogen of the tetrahydropyridine ring. The crystal packing is assured by strong O?H???O, O?H???N, N?H???N intermolecular hydrogen bonds and C?H???O close contacts. The biprotonated compounds Spm(αMe) crystallizes with two Cl^? anions and a water molecule. The positive charge on the imidazole ring is delocalized on the conjugated moiety N=C?N. The crystal is built up by clusters formed by two biprotonated Spm(αMe) molecules, four Cl^? anions and two water molecules linked together by hydrogen bonds.