A Novel Supramolecular Complex Based on Zaltoprofen Ligand: Synthesis,Crystal Structure,and Properties

A novel metal-organic supramolecular complex [Zn₂ (Zaltoprofen)₂(phen)₂] (where Zaltoprofen = 5-(1-carboxyethyl)-2-(phenylthio)phenylacetic acid, phen = 1,10-phenanthroline) has been synthesized under hydrothermal condition and characterized by single crystal X-ray diffraction, elemental analysis, spectral method (IR), powder X-ray diffraction (XRD), electronic Spectra (UV-vis), and fluorescent properties. The compound crystallizes in the monoclinic P2(1)/c space group. [Zn₂(Zaltoprofen)₂(phen)₂] features 0-D structural, the π–π stacking interactions and C?H···O hydrogen-bonds play a vital role in determining the crystal packing and construction of the extended 3-D supramolecular network.     

Synthesis,Structure, and Luminescent Properties of a Cadmium(II) Supramolecular Coordination Complex

Crystallography Reports - A new supramolecular complex [Cd(dcbpy)(im)2(H2O)2] · 3H2O (H2dcbpy = 4,4'-dicarboxy-2,2'-bipyridine, im = imidazole) has been prepared under hydrothermal...     

Yb:YAP晶体的光谱性能研究

应用中频感应加热提拉法生长出掺杂浓度为10;原子分数的Yb:YAP晶体,研究了室温下Yb:YAP晶体的吸收和发射光谱特性以及荧光寿命.Yb:YAP晶体在959nm处有最强吸收,吸收截面约为1.51 × 10-20 cm2,在1040nm处的发射截面为0.6 ×10-cm2,激光上能级荧光寿命为1.2 ms,此处自吸收较小,是实现激光输出的候选波长.研究了氧气退火对Yb:YAP晶体的光谱性能的影响.Yb:YAP晶体轴向效应明显,b轴将是作为激光输出的首选方向.比较了Yb:YAP晶体和Yb:YAG晶体的光谱性能参数.     

Sm：GdVO4晶体的生长及光谱性能研究

应用中频感应提拉法生长出掺杂浓度为2%原子分数的Sm:GdVO4晶体,研究了室温下c轴方向sm:GdVO4晶体的吸收和荧光光谱.通过J-O理论计算出强度参数(Ωt),同时计算了对应于4G5/2能级的自发跃迁几率、荧光分支比和辐射寿命.通过荧光光谱计算了对应于566、604和646nm三个发射峰对应的发射截面,结果表明,Sm:GdVO4在604 nm的发射截面最大,是掺Sm:YAP在607 nm处发射截面的4.4倍.     

Preparation,Mechanism, and Supramolecular Structure Study of a Novel Benzimidazole-Hydrate

Abstract  

A novel bis[2-(2-chloro-4-fluorophenyl)-1H-Benzimidazole]-hydrate was prepared from Schiff base, and its single crystalline was obtained. The single crystalline was characterized by X-ray crystallography, and the results shows that the title complex belongs to the triclinic system, space group (P1) with lattice parameters a = 7.592(2) ?, b = 7.595(2) ?, c = 11.886 (3) ?, V = 574(3) ?³, Mr = 352.33, Dc = 1.478 g/cm³, μ(MoKα) = 0.33 mm⁻¹, F(000) = 262, Z = 1, the final R = 0.090 and wR = 0.209 for 2,315 observed reflections (I > 2σ(I)). The crystal structure is formed by two benzimidazole molecules which are linked by a water molecule. A UV–Vis spectrophotometer and a fluorophotometer were used to detect the benzimizadole-hydrate crystal transformation process, which shows that benzimidazole-hydrate can only be formed from Schiff base effectively when ortho-hydroxyl group does not exist in benzaldehyde. The synthesis mechanism was also discussed. Compared with its Schiff base, benzimidazole-hydrate displays stronger fluorescence.     

Synthesis Crystal Structure and Spectral Properties of New Sulfonamides

Journal of Chemical Crystallography - In this paper, we report new sulfonamide derivatives, 4-((2,4-dichlorophenylsulfonamido)methyl)cyclohexanecarboxylic acid (1), ethyl...     

Synthesis,Crystal Structure and Spectroscopic Properties of an Oximato Bridged Cu(II) Dimer

Abstract  

Schiff-base condensation of a equimolar proportion of diacetyl-monoxime monohydrazone and 1-methylimidazole-2-carboxaldehyde in methanol gives rise to the imidazole azine, 3-(1-methylimidazol-2-yl)methylenehydrazonobutan-2-one oxime(HL). Reaction of 1:1 stoichiometric proportion of HL with copper(II)perchlorate hexahydrate in methanol yields a dimeric oximato bridged copper compound, [Cu₂L₂(H₂O)₂](ClO₄)₂ (1). The compound is characterized by C, H and N analyses, FT-IR, ESI–MS, conductivity measurement, UV–Vis spectra and X-ray single crystal diffraction. The title compound (1) crystallizes in the monoclinic space group P2₁/c with a = 6.8533 (8), b = 18.413 (2), c = 11.7399 (14) ?, β = 93.685 (2)°, V = 1478.4 (3) ?³ and Z = 2. The geometry around each copper center is distorted square pyramidal. The copper(II) dimer shows antiferromagnetic interaction mediated by symmetric disposition of oximato groups.     

Fe基预合金粉的结构及低温烧结性能研究

采用共沉淀法制备了Fe基预合金粉,并进行了不同温度下的烧结实验,对烧结后的试样块进行了力学性能测试及结构表征.结果表明,在共沉淀过程中该预合金粉已经形成了固溶体,实现了合金化,粉末的微观结构更有利于烧结的进行.预合金粉的烧结温度不宜超过900℃,最佳烧结温度为850℃,在此温度下试样具有较好的综合力学性能.烧结体的SEM观察表明在850℃烧结温度下材料的微观结构比较均匀,无明显晶粒长大,胎体材料对金刚石的包镶能力也最好.     

银螺旋体构筑的三维超分子配合物的合成和晶体结构

合成了螺旋配合物C38H29AgF6N6O0.5P并进行了元素分析、红外光谱表征和单晶X射线衍射分析.配合物为单螺旋结构,Ag(I)原子呈现扭曲的四方锥配位构型.晶体中螺旋体芳环间存在的π…π和C-H…π作用使其形成具有一维通道的三维网状结构,通道内填充有PF6-离子和结晶水分子.该晶体属于单斜晶系Cc空间群,晶胞参数分别为:α=1.7823(7)nm,b=3.1382(14)nm,c=0.8407(4)nm,β=116.492(9)°,V=4.209(3)nm3,Z=4,Mr=830.51,dc=1.311 g·cm3,T=293(2)K,μ=0.577 mm-1,F(000)=1676,R1=0.0766,wR2=0.1731[I2σ(I)].     

Y2O3掺杂ZrO2配合物的分子结构和光谱特性的理论研究

本文应用密度泛函理论指导人们深入理解氧化锆溶胶中分子的结构和光谱性能,探讨了溶胶中锆配合物的结构参数、光谱特性和原子的Mulliken 电荷布局. 理论结果表明掺杂引起粒径尺寸减少是由于掺杂引起氧桥聚合速度减慢和颗粒间吸引力的减弱.此外,振动光谱分析表明锆配位前驱体的有序化和第二相掺杂剂的引入明显减少了单斜氧化锆的特征光谱.理论分析结果很好地符合了实验结果.     

二维异核铜-钠配位聚合物的合成和晶体结构

合成了铜-钠混合金属配位聚合物 [(CuL)2(CH3OO)Na(H2O)4]2 (简写为1)并进行了元素分析和单晶X射线衍射分析,L为{2-(2′-酚基)- Δ 2-噻唑-4-羧酸}.晶体结构分析表明配合物形成Cu4Na2的六核混合金属大环.相邻的Cu4Na2环之间通过进一步的配位作用连结成包含更大的Cu8Na4大环的二维网状结构.该晶体属于三斜晶系Pī空间群,晶胞参数分别为:a = 1.0777(4) nm, b = 1.5221(6) nm, c = 1.6994(6) nm, α = 84.58(1)°, β = 76.31(1)°, γ = 89.97(1) °, V = 2.696 (2) nm3, Z = 2, Mr= 1447.26, dc = 1.783 g·cm-3, T = 293(2) K, μ = 1.816 mm-1, F(000) = 1472, R1 = 0.0794, wR2 = 0.1819 [I>2σ(I)].     

Synthesis,Crystal Structure,Electronic Absorption and Magnetic Properties of a Novel Anion-Radical Salt Based on 7,7,8,8-Tetracyanoquinodimethane

Abstract  

A novel anion-radical salt, (AP)(TCNQ)·H₂O (1), where AP = 4-amino-1-butylpyridin-1-ium and TCNQ = 7,7,8,8-tetracyanoquinodimethane, has been synthesized. X-ray single crystal structural analyses show that the TCNQ anions and AP cations form a well-separated stacking column. The TCNQ anions are uniformly spaced to give a one-dimensional (1-D) chain structure through π···π interactions, which is rarely observed in TCNQ anion-radical system. It is noteworthy that compound 1 shows a peculiar magnetic transition from paramagnetism in the high-temperature (HT) phase to spin gap in low-temperature (LT) phase.     

Aquabis(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-olato)cobalt (II): Crystal Structure and Spectroscopic Properties

Abstract  

The title cobalt complex, [Co(C₉H₇N₂O₂)₂H₂O]H₂O, has been synthesized by the reaction of ligand, 9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidine-4-one (HL), and cobalt nitrate. The synthesized complex was characterized by IR, elemental analysis (C, H and N), mass spectrometry and X-ray crystallography. The structure was solved in monoclinic, space group P2₁/c with a = 14.4584(13), b = 6.9385(8), c = 18.045(2) ?, β = 94.8440(10), V = 1803.8(3) ?³, Z = 4, and with R _int = 0.034. The Co(II) complex, as shown by the single-crystal structure determination, existed as a mononuclear complex with distorted square-pyramidal geometry. The mental center was coordinated by two molecules from the bidentate ligand (HL) and an O atom from the coordinated water molecule. The intermolecular aromatic π–π stacking interactions generate discrete dimers. Furthermore, these discrete dimers were connected via O–H···O hydrogen bond in complex to form three-dimensional networks. At room temperature, the complex can emit blue luminescence at 430 nm in the solid state, while it about 42 nm blue-shifted in ethanol solution. Compared with free ligand, the luminescence was greatly intensified.     

A Novel Coordination Polymer Based on Trinuclear Cobalt Building Blocks Cluster: Synthesis,Crystal Structure,and Properties

The title compound {[Co₃(μ₃-OH)(μ₂-H₂O)2(H₂O)₅(BTC)₂] · 6H₂O} _n (H₃BTC is a 1,3,5-benzenetricarboxylic acid) was prepared and characterized by single crystal and powder X-ray diffraction, Fourier transform infrared spectroscopy, thermogravimetric and elemental analyses. The single crystal X-ray diffraction reveals that the title compound consists of 1D infinite zigzag chains which were constructed by trinuclear cobalt cluster and BTC^3– ligand. Neighbouring above-mentioned 1D infinite zigzag chains are further linked by intermolecular hydrogen bonding to form a 3D supermolecular structure. In addition, the luminescent properties of the title compound were investigated.