1H-1,2,4-三唑-3,5-二羧酸锌的合成、表征及晶体结构研究
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摘要
常温水溶液中用1H-1,2,4-三唑-3,5-二羧酸(H3adctrz)与醋酸锌反应得到配位聚合物1H-1,2,4-三唑-3,5-二羧酸锌[Zn(Hadctrz)(H2O)3)]n,单晶经同步辐射光源衍射分析、元素分析、红外光谱进行了表征。晶体结构分析给出该配合物结晶为单斜晶系为14号空间群P21/c,其中Zn离子与氧、氮原子采取扭曲的八面体构型,价键总和(BVS)计算锌的氧化态是+2,相邻的锌离子通过μ1,4-Hadctrz桥联形成一维"之"字型结构,链间通过分子间氢键作用扩展为二维网状结构。锌离子配位使1H-1,2,4-三唑-3,5-二羧酸在DMSO溶液中的荧光淬灭。
One dimension complex[Zn(Hdctrz) H2O]n,(H3dctrz,1H-1,2,4-triazole-3,5-dicarboxylic acid) has been synthesized under room temperature and characterized by Synchrotron Radiation Facility(SRF),elemental analysis,IR.Crystal structural analysis reveals that the complex crystallizes in monoclinic system with space group P21/c.Centre zinc ion displays a slightly distorted octahedral geometry.Bond valence sum(BVS) model calculation is also performed to assign the oxidation number of the zinc center.The adjacent Zn cations are linked by a μ1,4-Hadctrz forming one dimensional zigzag chains.Further,these 1D chains form 2D networks by intermolecular hydrogen bonds.The fluorescence spectra of the ligands and complex 1 in DMSO show the addition of zinc can result in fluorescence quenching of ligands.
One dimension complex[Zn(Hdctrz) H2O]n,(H3dctrz,1H-1,2,4-triazole-3,5-dicarboxylic acid) has been synthesized under room temperature and characterized by Synchrotron Radiation Facility(SRF),elemental analysis,IR.Crystal structural analysis reveals that the complex crystallizes in monoclinic system with space group P21/c.Centre zinc ion displays a slightly distorted octahedral geometry.Bond valence sum(BVS) model calculation is also performed to assign the oxidation number of the zinc center.The adjacent Zn cations are linked by a μ1,4-Hadctrz forming one dimensional zigzag chains.Further,these 1D chains form 2D networks by intermolecular hydrogen bonds.The fluorescence spectra of the ligands and complex 1 in DMSO show the addition of zinc can result in fluorescence quenching of ligands.
引文
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[5]Kumar D,Narayanam M K,Chang K,et al.Synthesis of novel indolyl-1,2,4-triazoles as potent and selective anticancer agents[J].Chem Biol Drug Des,2011,77(3):182-188.
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[9]Chen B,Ockwig N W,Yaghi O M,et al.Bridging the materials gap in catalysis:entrapment of molecular catalysts in functional supports and beyond[J].Angew Chem Int Ed,2005,44(12):1890-1892.
[10]Desiraju G.The C-H…O hydrogen bond:structural implications and supramolecular design[J].Acc Chem Res,1996,29(9):441-449.
[11]Baitalik S,Dutta B,Nag K.Spectroscopic and redox properties of RhIIIRuIIand RuIIRuIIcomplexes derived from2,2'-bipyridine,pyrazole-3,5-bis(benzimidazole)and 1,2,4-triazole-3,5–dicarboxylic acid as bridging ligands[J].Polyhedron,2004,23(6):913-919.
[12]Otwinowski Z,Minor W.Processing of X-ray Diffraction Data Collected in Oscillation Mode[J].Method Enzymo,1997,276(21):307-326.
[13]Sheldrick,G.M.SHELXS97 and SHELXL97[S].University of Gottingen,Germany,1997.
[14]Sun Y Y,Zhang Y W,Cheng L,et al.Catena-Poly[[triaquazinc(II)]-l-1H-1,2,4-triazole-3,5-dicarb-oxylato][J].Acta Cryst,2008,E64(9):m1113-1114.
[15]Deacon G B,Phillips R J.Relationships between the carbon-oxygen stretching frequencies of carboxylato complexes and the type of carboxylate coordination[J].Coord Chem Rev,1980,33(3):227-250.
[16]Jensen W P,Palenik G J,Tiekink E R T.Bond valence sums in coordination chemistry.Sn(II),Sn(III),and Sn(IV)complexes containing Sn-S and/or Sn-N bonds[J].Polyhedron,2001,20(17):2137-2143.
[17]Balzani V,Juris A,Venturi M,et al.Luminescent and redox-active polynuclear transition metal complexes[J].Chem Rev,1996,96(2):759-833.
[18]Brese B N E,O'keeffe M.Bond-valence parameters for solids[J].Acta Cryst,1991,B47(2):192-197.
[19]Ma Q,Zhu M L,Yuan C X,et al.A molecular helix:selfassembly of coordination polymers from d10metal ions and 1,10-phenanthroline-5,6-dione(pdon)with the bridges of SCN-and Cl-anions[J].Cryst Growth Des,2010,10(4):1706-1714.