一种新型D-π-D＇-π-D型二茂铁衍生物的合成、晶体结构和性质研究

通过固态Wittig反应合成一种新型D-π-D＇-π-D型二茂铁衍生物：4-二丁氧基-2,5-二（2-二茂铁基乙烯基）苯[（Fc-CH=CH）2BZ（RO）2].利用核磁共振氢谱（1H NMR）,红外光谱（FT-IR）和质谱（EI-MS）等对化合物进行了表征,通过单晶X-ray衍射确定了它的晶体结构为单斜晶系,C2/c...     

姜黄素类铂（Ⅱ）配合物的合成及其抗肿瘤活性

以乙醇为溶剂,用自制的姜黄素衍生物（L1～L4）和碘亚铂酸钾为原料,合成得到了4种姜黄素类铂（II）配合物（A～D）,通过FT-IR、1H NMR、MS、差热热重和元素分析对所有目标化合物进行了结构表征.应用MTT（3-（4,5-二甲基噻唑-2）-2,5-二苯基四氮唑溴盐）法研究了化合物体外对人肺腺癌A549、子宫颈癌...     

Synthesis and Structure of 4—Nitrobenzaldehyde Thiosemicarbazone

ＳｙｎｔｈｅｓｉｓａｎｄＳｔｒｕｃｔｕｒｅｏｆ４－ＮｉｔｒｏｂｅｎｚａｌｄｅｈｙｄｅＴｈｉｏｓｅｍｉｃａｒｂａｚｏｎｅＴｉａｎＹｕ－Ｐｅｎｇ；ＤｕａｎＣｈｕｎ－Ｙｉｎｇ；ＬｕＺｈｏｎｇ－Ｌｉｎ；ＹｏｕＸｉａｏ－Ｚｅｎｇ（ＣｏｏｒｄｉｎａｔｉｏｎＣｈｅ...     

一种有机锡化合物的合成、晶体结构、抗肿瘤及荧光性能(英文)

通过异烟肼和4-N,N-二羟乙基苯甲醛来合成一种席夫碱及其锡配合物,并通过核磁、元素分析以及X-射线单晶衍射来进行结构表征。该平面构型的席夫碱采取二齿配位模式,其中的-C=N-在配位后由反式变为顺式。晶体结构数据以及荧光光谱中的显著红移现象表明锡配合物中的π-共轭体系通过配位反应得以延展。体外细胞毒性数据表明,席夫碱配体及其锡配合物对于A-549,MCF-7和Hela等肿瘤细胞的生长抑制活性要强于顺铂。还通过紫外可见光谱及荧光光谱初步研究了两种化合物与DNA的相互作用,结果表明锡配合物可能通过共价结合来导致DNA双螺旋链变形,而席夫碱分子中的氢键效应及其长平面结构可能会阻碍其嵌入DNA双螺旋链。     

Synthesis,Crystal Structure,Theoretical Studies and Sensitive Response toward Fe~(3+) of a Novel Tripyrazole Derivative Ligand

A novel pyrazole derivative ligand, BTA(BTA = bis-(4-ethoxy-phenyl)-[4-(tripyrazol-1-yl-methyl)-phenyl]-amine), was synthesized and fully characterized by 1H-NMR, MALDI-TOF-MS spectra and single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1, with a = 11.827(1), b = 16.000(2), c = 16.527(2), α = 108.510(1), β = 91.116(5), γ = 101.734(1)°, V = 2894.5(6) 3, Z = 1, Dc = 1.262 g/m3, F(000) = 1162, Μr = 545.63, μ = 0.083 mm-1, the final R = 0.0728 and w R = 0.2213 for 7541 observed reflections with I 2(I). The structural analysis revealed that three pyrazole units are attached to the same carbon atom connected with bis-(4-ethoxy-phenyl)-phenyl-amine group. UV-vis spectral features of the ligand in various solutions were explained by time dependent density functional theory(TD-DFT). It was also found that the ligand(BTA) exhibits an exclusively selective and sensitive response toward Fe3+ using UV-vis spectroscopic method.     

β-双酮三苯基膦混配铜（I）配合物的合成、晶体结构及荧光性质

按文献方法合成了9-丁基-3-(4,4,4-三氟-1,3-丁二酮基)咔唑(L),以L和三苯基膦为配体与硝酸铜、铜粉反应制备了具有荧光活性的铜(Ⅰ)配合物。利用红外光谱和元素分析表征了配合物的组成。通过单晶X射线衍射分析确定了该配合物的晶体结构,晶体属于单斜晶系,P21/c空间群。晶胞参数:a=1.642 8(5)nm,b=1.043 4(5)nm,c=2.800 1(5)nm,V=4.800(3)nm3,Z=4,Dc=1.313 Mg/m3,R[I>2σ(I)],R1=0.050 1,wR2=0.080 8。该配合物的分子中,β-二酮配体L的2个O原子和三苯基膦配体的P原子参与配位,Cu(Ⅰ)处于畸变四面体配位中心。初步研究了Cu(Ⅰ)配合物的发光性质,配合物在二氯甲烷溶液中有很强的荧光发射。     

配位聚合物{[Zn(TSC)(MAL)]·H2O}n的制备及结构表征

The novel Zn^Ⅱ complex, {[Zn(TSC)(MAL)]·H₂O}_n (1), where TSC is thiosemicarbazide and MAL is malonate radicle, was synthesized by self-assembling from the reaction of stoichiometric zinc chloride, thiosemicarbazide and malonic acid in solution at pH 4.5~5.0. The structural and physicochemical properties were characterized by X-ray diffraction, infrared spectroscopy, electronic spectra and thermal analysis. The crystal data for the title coordination polymer: Monoclinic, P2₁/c, β=107.808(1)°, a=0.937 59(1) nm, b=1.110 83(1) nm, c=0.921 00(2) nm, Z=2, μ=2.919 mm^-1, R₁=0.039 0, wR₂=0.099 4. The structure feature is that the bridging dicarboxylates effectively link the zinc centers to form polymeric chain in a zig-zag way, which is stabilized by N-H…O, N-H…S and O-H…O hydrogen bonds. CCDC: 231861.     

一种含二茂铁基的多枝状分子的合成、表征及其性质研究

采用新的方法合成了一种二茂铁衍生物——均三（二茂铁乙烯基）苯，通过元素分析、红外光谱、核磁共振氢谱、质谱、紫外可见光谱等对其进行了表征。用循环伏安法对其电化学性质进行了初步研究，用Z-扫描技术测试了它的非线性光学性能。结果表明，该化合物具有良好的电化学及非线性光学性质。     

Synthesis,Crystal Structure and Nonlinear Optical Properties of Nickel（Ⅱ） Complex with Schiff—base Ligand

1 INTRODUCTION Recently, the transition metal complexes and inorganic clusters have also been investigated as promising nonlinear optical materials[1～3]. In our past work, much more efforts have been made to find potential nonlinear optical derived from thiosemicarbazone and dithio-carbazates[4]. As a continuous study on new nonlinear optical materials among the -electron delocalized systems con- taining mixed sulfur and nitrogen donors[5, 6], we report herein the crystal structure and…     

红光材料双β-二酮铕配合物的合成、结构与发光性质

通过分子设计,合成了一种新颖的双β-二酮配体N-正丁基-3,6-二(1,3-丁二酮基)咔唑(H2L)及其铕配合物.单晶X衍射测定了H2L的晶体结构.配体和配合物的红外光谱和电子光谱表明,Eu3 与H2L发生螯合配位.配体的荧光光谱是宽带的蓝色发光,属H2L*→H2L跃迁,而配合物的溶液荧光光谱除了配体的蓝光带外,还有611nm处的Eu3 的特征红光,属5D0→7F2跃迁带;配合物的光致发光光谱只有613nm处为Eu3 的特征红光,属5D0→7F2跃迁带,峰形尖锐,单色性好,表明该配合物为一种潜在的红色发光材料.