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1.
<正>0 Introduction The realm of crystal engineering has provided a sound junction between aesthetics of crystalline architectures[1-2]and their potential functions[3-4],of which the ultimate destination is to successfully achieve  相似文献   

2.
T A dinuclear cadmium complex[Cd2(phen)2(C14H11O3)4(CH3CH2OH)]·(CH3OH)·(H2O)has been synthesized with benzilic acid and 1,10-phenanthroline by hydrothermal method.The crystal structure was determined bv X-ray diffraction with crystal parameters as follows:triclinic system with space group P-1,α=1.21298(10),b=1.32586(1 1),c=2.4815(2)nm,α=76.2630(10),β=81.4500(10),γ=69.1700(10)°V=3.6143(5)nm3,Dc=1.438g/cm3,Z=1,F(000)=1600,the final GOOF=0.937,R=0.0521 and wR=0.1328.In the title complex,the dinuclear structure is defined by carboxyl oxygen atoms adopting a monodentate bridged coordination mode.The coordination environment of Cd(Ⅱ)ion is CdO4N2,giving a distorted octahedral coordination geometry.TG analysis shows that the title complex is stable under 140℃.  相似文献   

3.
A dinuclear cadmium complex [Cd2(phen)2(C14H11O3)4(CH3CH2OH)]·(CH3OH)·(H2O) has been synthesized with benzilic acid and 1,10-phenanthroline by hydrothermal method.The crystal structure was determined by X-ray diffraction with crystal parameters as follows:triclinic system with space group P1,a = 1.21298(10),b = 1.32586(11),c = 2.4815(2) nm,α = 76.2630(10),β = 81.4500(10),γ = 69.1700(10)o,V = 3.6143(5) nm3,Dc = 1.438 g/cm3,Z = 1,F(000) = 1600,the final GOOF = 0.937,R = 0.0521 and wR = 0.1328.In the title complex,the dinuclear structure is defined by carboxyl oxygen atoms adopting a monodentate bridged coordination mode.The coordination environment of Cd(Ⅱ) ion is CdO4N2,giving a distorted octahedral coordination geometry.TG analysis shows that the title complex is stable under 140 ℃.  相似文献   

4.
A new quinazolinone compound 2,3-dihydro-2-(2-hydroxyphenyl)-3-phenylquinazolin-4(IH)-one 3 ([C2oH16O2N2]-C2H5OH, Mr = 362.42) and compound 2-(2-hydroxybenzylidene-amino)-N-phenyl-benzamide 2 (C2oH16O2N2, Mr = 316.34) were prepared from a precursor of 2-amino-N-phenyl-benzamide 1 (C13H12ON2, Mr = 212.25). Compound 3 was characterized by single-crystal X-ray diffraction analysis. The crystal belongs to orthorhombic,space group Pbca with a = 1.2889(11), b = 1.6170(14), c = 1.7729(15) nm, V= 3.695(6) nm^3, Z= 8, F(000) = 1536, Mr = 362.42, Dc = 1.303 g/cm^3, μ(MoKa) = 0.087 mm^-1, R = 0.0447 and wR= 0.0879. The crystal structure analysis indicates that the title compound has a two-dimensional network structure formed by hydrogen bonds and electrostatic interactions.  相似文献   

5.
江雨  孔令艳  王燕 《合成化学》2016,24(10):879-883
以3,5-吡唑二甲酸(H3pdc)为配体,Pb(NO3)2为金属盐,在水热反应条件下通过调节pH,合成了一种新的二维羟基Pb配合物--[Pb2OH(pdc)(H2O)·H2O]n(1),其结构经IR,元素分析和X-射线衍射表征。1(CCDC: 1 469 184)属单斜晶系,P21/n空间群,晶胞参数a=10.502(2) , b=9.176 5(2) , c=10.602(2) , β=97.417(7)°, V=1 013.2(3) 3, Z=4, R1=0.022 4, wR2=0.045 8, S=1.02。每个不对称结构单元中具有两种不同配位环境的Pb,在同一结构单元中,2个Pb通过羟基O相连,相邻不对称结构单元通过配体连接Pb(Ⅱ)形成二维网络结构。荧光发射光谱研究结果表明:在最大激发波长(264 nm)激发下,1在380 nm, 419 nm和440 nm附近显示出较强的荧光性能。  相似文献   

6.
利用水热法合成了五硼酸三乙胺[HN(C2H5)3][B5O6(OH)4], 并利用单晶X射线衍射技术解析了其结构, 同时利用傅立叶红外分析、元素分析及热分析技术加以佐证. 该化合物属于单斜晶系, 其空间群为P21/c, 相应的晶胞参数为a=1.0036(2) nm, b=1.1353(2) nm, c=1.4843(3) nm和β=106.54(3)°. 它由孤立的五硼酸阴离子[B5O6(OH)4]-和三乙胺阳离子[HN(C2H5)3]+构成. 五硼酸阴离子[B5O6(OH)4]-通过氢键构成三维网状结构, [HN(C2H5)3]+位于其中的孔道中.  相似文献   

7.
Introduction The chemistry of organotin(IV) dithiocarbamate complexes was extensively studied due to their biological activities.1-5 To date, a large number of transition-metal complexes with dithiocarbamate have been synthesized and structurally characterized,6-9 including Ni(S2CNC4H8O)2, Cu(S2CNC4H8)2, Zn(S2CNC4H8O)2 and Fe(S2CNC4H8O)2(DMF). However, the chemistry of main-group metal complexes with dithiocarbamate has been scarcely studied, and few reports have appeared on the s…  相似文献   

8.
配合物(n-Bu)2Sn(C10H8N2O4)(C2H5OH)的合成和晶体结构   总被引:1,自引:0,他引:1  
以2-羰基丙酸水杨酰腙作为配体与二正丁基氧化锡(Ⅳ)在苯/乙醇混合溶剂中反应, 合成了新型配合物(n-Bu)2Sn(C10H8N2O4)(C2H5OH)(C10H8N2O42为2-羰基丙酸水杨酰腙负二价离子)。用单晶X-射线衍射分析法测定了该配合物的晶体结构。晶体属四方晶系, I41/a空间群, 晶胞参数a = 2.5113(7), b = 2.5113(7), c = 1.5062(6) nm, V = 9.499(5) nm3, Z = 16, Dc = 1.396 g/cm3, m(MoKa) = 1.105 mm1, F (000) = 4096。对于2499 (I >2s(I))个可观测点, 最终可靠因子R = 0.0349, wR = 0.0793。在该配合物的分子结构中, 中心锡原子与3个O原子、1个N原子和2个C原子形成扭曲的八面体几何构型, 其中3个O原子和1个N原子为赤道配位原子, 而CSnC为配合物的轴。相邻配合物分子间因Sn…O的弱相互作用和分子间氢键的作用而以二聚体的结构形式存在。  相似文献   

9.
鲁晓明  刘顺诚  刘育  卜显和  洪少良 《化学学报》1997,55(10):1009-1018
为研究大环化合物对客体分子的选择性, 合成了通式为[NaL(Et2O)]2Na2Mo8O26的三种新型N-对R苯基氮杂15冠5八钼多酸钠超分子配合物(其中L分别为: N-苯基氮杂15冠5、N-对氯苯基氮杂15冠5和N-对甲苯基氮杂15冠5), 进行了元素分析, 红外光谱与核磁共振等结构参数的表征, 对R基为CH3的标题配合物作了X射线四圆衍射测定, 该晶体属单斜晶系, 空间群为P21/a,a=1.4590(4)nm, b=1.3817(3)nm, c=1.7639(5)nm, β=112.67(2)°, V=3.281(1)nm^3, Mr=2021.3, Dc=2.11g/cm^3,μ=2.37mm^-^1, F(000)=2048, R=0.045和Rw=0.057, 与[Na.(DB18C6)(CH3OH)M6O19和[Na(DB24C8)]2M6O19进行比较,结果表明: 大环化合物不仅对客体金属离子有分子识别性, 而且对与之抗衡的多酸阴离子也具有影响。  相似文献   

10.
在加热条件下,发现氯化铵可以使季戊四醇单侧修饰的Anderson型铬钼酸盐发生结构变异,Anderson型多酸母体上的季戊四醇配体由正中心位置异构到非正中心位置(季戊四醇配体的一个烷氧基从取代多酸骨架中的μ_3-O桥氧原子异构为取代骨架中的μ_2-O桥氧原子),得到其χ同分异构体(NH_4)_3{χ-[Cr(OH)_3Mo_6O_(18)(OCH_2)_3CCH_2OH]},并通过电喷雾质谱ESI、红外光谱IR和单晶X射线衍射的方法确定了该化合物的结构.晶体测定及分析结果表明,该化合物属单斜晶系,P2_1/n空间群,晶胞参数a=1.053 68(4)nm,b=2.911 72(6)nm,c=1.124 70(7)nm,α=90°,β=117.45(6)°,γ=90°,Z=4,V=3.062 1(3)nm~3.  相似文献   

11.
Cong R  Yang T  Wang Z  Sun J  Liao F  Wang Y  Lin J 《Inorganic chemistry》2011,50(5):1767-1774
Ln(2)B(6)O(10)(OH)(4)?H(2)O (Ln = Pr, Nd, Sm-Gd, Dy, Ho, and Y), a new series of hydrated rare earth borates, have been synthesized under hydrothermal conditions. A single crystal of Nd analogue was used for the structure determination by X-ray diffraction. It crystallizes in the monoclinic space group C2/c with lattice constants a = 21.756(4), b = 4.3671(9), c = 12.192(2) ?, and β = 108.29(3)°. The other compounds are isostructural to Nd(2)B(6)O(10)(OH)(4)?H(2)O. The fundamental building block (FBB) of the polyborate anion in this structure is a three-membered ring [B(3)O(6)(OH)(2)](5-). The FBBs are connected by sharing oxygen atoms forming an infinite [B(3)O(5)(OH)(2)](3-) chain, and the chains are linked by hydrogen bonds, establishing a two-dimensional (2-D) [B(6)O(10)(OH)(4)?H(2)O](6-) layer. The 2-D borate layers are thus interconnected by Ln(3+) ions to form the complex three-dimensional structure. Ln(2)B(6)O(10)(OH)(4)?H(2)O dehydrates stepwise, giving rise to two new intermediate compounds Ln(2)B(6)O(10)(OH)(4) and Ln(2)B(6)O(11)(OH)(2). The investigation on the luminescent properties of Gd(2-2x)Eu(2x)B(6)O(10)(OH)(4)?H(2)O (x = 0.01-1.00) shows a high efficiency of Eu(3+) f-f transitions and the existence of the energy transfer process from Gd(3+) to Eu(3+). Eu(2)B(6)O(10)(OH)(4)?H(2)O and its two dehydrated products, Eu(2)B(6)O(10)(OH)(4) and Eu(2)B(6)O(11)(OH)(2), present the strongest emission peak at 620 nm ((5)D(0) → (7)F(2) transition), which may be potential red phosphors.  相似文献   

12.
近年来,金属-有机配位聚合物作为一种新型的微孔晶体材料越来越引起人们的广泛关注.这种材料不仅在结构上有类似分子筛的孔道结构,而且在去除孔道中的溶剂分子后仍能保持骨架的完整性,BET比表面积远大于相似孔道的分子筛,所以它们在吸附、分离、催化和分子识别方面具有潜在的价值.不同于由硅氧或铝氧四面体为骨架的传统分子筛微孔材料,这类晶体材料主要是由金属离子(或金属氧簇)与有机配体(大多数是芳香多酸和多碱)构成的建筑单元通过共价键或者分子间作用力构成的.  相似文献   

13.
A lead(Ⅱ) coordination polymer, {[Pb2(butca)(H2O)2](H2O)2}n (1), has been synthesized by the hydrothermal reaction of Pb(OH)2 and 1, 2, 3, 4-butanetetracarboxylic acid (H4butca) at 160 ℃. Single-crystal X-ray analyses reveal that it crystallizes in monoclinic, space group P21/c with a = 7.616(5), b = 7.584(4), c = 12.314(7) (A), β = 105.595(12)°, V = 685.0(7) (A)3, Z = 4,C8H14O12Pb2, Mr= 716.57, Dc=3.474 g/cm3,μ = 24.610 mm-1, F(000) = 644, the final R = 0.0381 and wR = 0.1176 for 1465 observed reflections with Ⅰ> 2σ(Ⅰ). The complex presents a 2D-layered structure featuring two different types of rings, and has a (4,3 6) topology based on Pb and butca 4- nodes. In solid state, complex 1 shows photoluminescence with the maximum emission intensity at 468 nm under 286 nm excitation.  相似文献   

14.
迄今, 在中温水热条件下已合成了大量具有空旷骨架结构的过渡金属磷酸盐微孔材料[1], 这类材料在非线性光学材料、磁性材料、超导材料及催化等诸多方面具有潜在的应用前景[2~5].  相似文献   

15.
合成了新化合物(NH4)6•[Ca2(H2O)6(CH3COO)2]•{Ca@[O52(OH)4(CH3COO)2]}•14H2O,并运用元素分析和单晶X衍射对其结构进行了表征.测定结果证实,该化合物由十八个钼氧八面体相互连接而成,呈现一种有趣的环状结构.在环的中心有一个Ca2+离子,它通过与环上的四个酰氧配位而与环骨架相连.有十个钼原子呈正六价,而其余八个钼原子呈正五价,且有Mo-Mo键存在.环上还有配位相连的四个乙酸配体.在环的上下各有两个Ca2+离子,它通过与该环和其它环上的氧原子配位而把环连成一维链状结构.晶体属三斜晶系,空间群P1,晶胞参数:a=1.055 2(2) nm, b=1.515 0(3) nm, c=1.544 9(3) nm, α=60.84(3), β=88.00(3), γ=71.21(3)°,V=2.019 4(7) nm3, R1=0.036 6(对可观察点), wR2=0.083 3(对独立点).  相似文献   

16.
Several indium borophosphates have been reported recently, including KIn[BP(OH)]() and NaIn[BP(OH)](). The latter two compounds were synthesized under mild hydrothermal conditions, and have the same molar ratio (M∶In∶B∶P∶O∶H) in molecular formula but with different structure types. Compound crystallizes in the triclinic system with space group P1 (No.2), =0.52638(4) nm, =0.84791(5) nm, =0.81469(9) nm, α=91.1741(7) °, β=93.061(7) °, γ=79.823(5) °, =0.3573 nm, =2; while compound possesses a monoclinic structure with space group (No.14) with =0.5177(1) nm, =1.6815(3) nm, =0.7684(2) nm, β=94.10(3) °, =0.6672(2) nm, =4. Eight-membered-ring and six-membered-ring are formed by alternating borate, phosphate tetrahedra and In-coordination octahedron sharing corners via common oxygen atoms in compound and respectively. The polyhedra in the structure are oriented along certain direction to form alternating layered fragments. These two structure types can be considered as intergrowth structures, which consist of the same layered fragments growing in different orientations. Other structure intergrowth possibilities are also expected in similar systems. CSD: , 409583; , 413343.  相似文献   

17.
Shivaiah V  Das SK 《Inorganic chemistry》2005,44(24):8846-8854
Two Anderson-type heteropolyanion-supported copper phenanthroline complexes, [Al(OH)6Mo6O18[Cu(phen)(H2O)2]2]1+ (1c) and [Al(OH)6Mo6O18[Cu(phen)(H2O)Cl]2]1- (1a) complement their charges in one of the title compounds [Al(OH)6Mo6O18[Cu(phen)(H2O)2]2][Al(OH)6Mo6O18[Cu(phen)(H2O)Cl]2].5H2O [1c][1a].5 H2O 1. Similar charge complementarity exists in the chromium analogue, [Cr(OH)6Mo6O18[Cu(phen)(H2O)2]2][Cr(OH)6Mo6O18[Cu(phen)(H2O)Cl]2].5 H2O [2c][2a].5 H2O 2. The chloride coordination to copper centers of 1a and 2a makes the charge difference. In both compounds, the geometries around copper centers are distorted square pyramidal and those around aluminum/chromium centers are distorted octahedral. Three lattice waters, from the formation of intermolecular O-H.....O hydrogen bonds, have been shown to self-assemble into an "acyclic water trimer" in the crystals of both 1 and 2. The title compounds have been synthesized in a simple one pot aqueous wet-synthesis consisting of aluminum/chromium chloride, sodium molybdate, copper nitrate, phenanthroline, and hydrochloric acid, and characterized by elemental analyses, EDAX, IR, diffuse reflectance, EPR, TGA, and single-crystal X-ray diffraction. Both compounds crystallize in the triclinic space group P. Crystal data for 1: a = 10.7618(6), b = 15.0238(8), c = 15.6648(8) angstroms, alpha = 65.4570(10), beta = 83.4420(10), gamma = 71.3230(10), V = 2182.1(2) angstroms3. Crystal data for 2: a = 10.8867(5), b = 15.2504(7), c = 15.7022(7) angstroms, alpha = 64.9850(10), beta = 83.0430(10), gamma = 71.1570(10), V = 2235.47(18) angstroms3. In the electronic reflectance spectra, compounds 1 and 2 exhibit a broad d-d band at approximately 700 nm, which is a considerable shift with respect to the value of 650-660 nm for a square-pyramidal [Cu(phen)2L] complex, indicating the coordination of [M(OH)6Mo6O18]3- POM anions (as a ligand) to the monophenanthroline copper complexes to form POM-supported copper complexes 1c, 1a, 2c, and 2a. The ESR spectrum of compound 1 shows a typical axial signal for a Cu2+ (d9) system, and that of compound 2, containing both chromium(III) and copper(II) ions, may reveal a zero-field-splitting of the central Cr3+ ion of the Anderson anion, [Cr(OH)6Mo6O18]3-, with an intense peak for the Cu2+ ion.  相似文献   

18.
合成了一维链状高价锰配合物[Mn2(C7H4O3)4(CH3OH)2]4H2O2CH3OH,并对其进行了IR、X-射线衍射、UV-Vis和TG-DSC等表征。单晶衍射结果表明,该配合物晶体属三斜晶型,空间群P?晶胞参数a=7.653(5),b=10.486(7),c=12.943(8),=103.24(1),?=104.55(1),?=110.11(1),V=885.4(9)3,Z=1。UV-Vis光谱在547nm有一个吸收峰,相应于Mn(Ⅳ)的d-d电子跃迁光谱。  相似文献   

19.
1 INTRODUCTION Schiff base complexes containing sulfur and com- plexes of amino acid Schiff bases[1~5] have recently aroused increasing interest because of their antiviral, anticancer and antibacterial activities. Taurine, an amino acid containing sulfur, is indispensable to human beings and has important physiological func- tions. Recently, we have found that the Shiff base derived from taurine has manifold coordination modes[4~10]. Aromatic-ring stacking interaction is an important …  相似文献   

20.
水热法合成了新结构类型化合物CsIn[P03(0H)]2,并通过单晶X-射线衍射表征结构.标题化合物空间群为P121/c1(No.14),晶体学参数为:M=439.69,mP56,a=0.532 86(6)nm,b=0.91653(7)nm,c=1.478 39(14)nm,β=93.849(9).,V=0.7204(1)nm3,Z=4,Dx=4.054 g·cm-3,μ=8.713 mm-1,F(000)=800,R1= 0.0325,wR2=0.0874.在该化合物中,2个In06八面体和4个PO4四面体形成交连的六元环柱,并沿a轴方向形成近六方密堆积并连接成Cs+离子占据的十二元环结构隧道,六元环和十二元环连接构筑了三维网络结构.与类似化学计量比化合物Na2In2[PO3(0H)]4·H2O比较,标题化合物中十二元环的形成明显取决于隧道阳离子的大小,其拓扑构造可看作扩展的6,3-网格连接,化合物RbIn[PO3(0H)]2与之同构.  相似文献   

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