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500 个结果
  • 简介:Onenovelorganic-inorganichybridsupramolecularassemblies|(NDPA)(18-crown-6)]2+(DMA)+·3ClO4-(1),hasbeensuccessfullyconstructedthroughtheprominentstrategiesofcrystalengineering(NDPA=N,N-dimethyI-1,4-phenylenediamine,DMA=dimethylamine),andcharacterizedbyIR,powderXRDandsinglecrystalX-raydiffraction.Inthestructure,thesupramolecularorganiccationsandinorganicClO4-anionsarearrangedalternatelyandlinkedbyN-O…Hhydrogenbonds.ItisworthytonotethattheClO4-arelinkedtoformone-dimensionalinorganicchainthroughstrongNH…Ohydrogenbondsalongb-axis.Thereisnodistinctdielectricanomalyinthetemperaturedependentandfrequency-dependentdielectricconstantcurves,suggestingthatnophasetransitionexistswithinthemeasuredtemperaturerange(120-420K).Therelativedisplacementofcationsandanions,theturnedpolarizationofmolecularelectricmomentandmacrocyclicmoleculerotatorarethemainfactorstodeterminethetrendofdielectricconstant.

  • 标签: 超分子组装 18-冠-6 晶体结构 DMA 介电性能 单晶X射线衍射
  • 简介:磁性的支持nanoparticle的Pd/Fe3O4乐意地被准备并且证明了是为在温和条件(汽球H2压力和房间温度)下面的nitroarenes的有效铃木跨coupling反应,和减小的万用的催化剂。催化剂能方便地与持续催化活动若干次被恢复并且再使用。

  • 标签: 交叉偶联反应 催化剂 多功能 选择性加氢 铃木 磁载
  • 简介:Ionothermalsynthesiswasusedtoprepareanovelaminoacidcontaininghybridzincophosphatemonomer,[Zn(HPO4)(H2PO4)][C6H10N3O2](denotedasZnPO-CJ58).Theinorganicframeworkof[Zn(HPO4)(H2PO4)]·[C6H10N3O2]consistsof4-memberedringsformedbyZnO3OHisandPO2(OH)2tetrahedra.TheHPO4andaminoacidmoietieshangontheZncenter.Suchaframeworkisstabilizedbyextensivemultipointhydrogenbondsinvolvingthephosphateunitsandhistidinemoleculestoformapseudo-3Dsupramolecularstructure.ItisnoteworthythatZnPO-CJ58isthefirstzincphosphateclusterwithaminoacidactingastheligand.Itexhibitsphotoluminescenceexcitedatawavelengthof220nm.Interestingly,ZnPO-CJ58cantransformintoalayeredstructure(C6H10N3O2)Zn2·(HPO4)(PO4)·H2O(ZnPO-CJ36)throughfurtherreactingwithwaterorzincacetatedihydrateinwaterat85℃for1h.Thisworkwillbehelpfulforthesynthesisofcrystallineinorganic-organichybridmaterialswithbiofunctionalmolecules.

  • 标签: 磷酸锌 热合成 无机 离子 集群 超分子结构
  • 简介:系列1-[2-(2-methoxyphenylthio)本甲基]-4-arylpiperazines衍生物基于5-HT1A/SSRI药设计策略被设计并且综合。综合混合为他们的双5-HT1A/5-HTT活动被评估。

  • 标签: 抗抑郁药 药物合成 芳基哌嗪 杀螨好
  • 简介:Theoptimalconditionsforthecomplexationreactionofmeso-tetra(3-methoxy-4-hy-droxyphenyl)porphineT(3-M-4HP)Pwithplatinumandrhodiumarepresented.Beer’sLawisobeyedwhentheconcentrationofrhodiumisintherangeof0.45-1.15μg/25mL.Themolarabsorptivityofrhodiumwasfoundtobe1.99×106L·mol-1·cm-1at460nm.ThevalueofεPtwasfoundtobe6.28×105L·mol-1·cm-1bylinearregressionmethod.TheKcoefficientmethodandcompensatingcoefficientwereusedtodetermineplatinumandrhodiumsimultaneoulywithoutremovalormaskingoftheinterferentsinthesample.Theresultsforthedeterminationofplatinumandrhodiuminthemixedsolutionofplatinumandrhodiumaresatisfactory.

  • 标签: PLATINUM RHODIUM Spectrophotonletry Meso-tetra(3-M-4HP)P.
  • 简介:采用步法合成了氨基化四氧化三铁(NH2-Fe3O4)磁性纳米材料,并以XRD,IR等手段对其进行了表征.将NH2-Fe3O4组装到磁性玻碳电极表面,得了NH2-Fe3O4修饰的磁玻碳电极,并以该修饰电极为工作电极,研究了其电化学性能.利用差分脉冲溶出伏安法研究了铅(Ⅱ)离子和铜(Ⅱ)离子在该修饰电极上的电化学行为.结果表明:NH2-Fe3O4纳米粒子可显著提高Pb2+和Cu2+在电极表面的富集量,提高溶出峰电流.由于差分脉冲溶出伏安曲线中Pb2+和Cu2+的溶出峰电位差较大,且没有相互干扰,所以该电极可用于Pb2+和Cu2+的同时测定.

  • 标签: 氨基化Fe3O4 磁性玻碳电极 PB2+ Cu2+
  • 简介:存取2-substituted-N1-carbethoxy-2,3-dihydro-4(1H)的条灵巧、有效、新奇的途径-quinazolinones是被代替的N-carbethoxyanthranilamide的冷凝作用用p-toluenesulfonic酸在refluxing2,2,2-trifluoroethanol或hexafluoroisopropanol与烷基,aromatic或异种aromatic醛开发催化剂。

  • 标签: 三氟乙醇 六氟异丙醇 氟溶剂 溶剂效应 喹啉氮杂化合物
  • 简介:5-溴水杨醛和乙胺合成的希夫碱为定向配体,采用溶剂热法,在乙腈溶液中与硝酸钴反应,合成了个新型的钴(Ⅲ)配合[Co(HL)3](1),HL=5-溴水杨醛缩甲胺希夫碱,其结构经单晶X-射线衍射进行测定,并通过IR对结构进行了表征.配合1属于单斜晶系,P21/n空间群,晶胞参数a=0.93693(12)nm,b=2.13386(19)nm,c=1.45780(14)nm;β=103.432(11)°;V=2.8348(5)nm3,Z=4,Dc=1.734g·cm-3,R1=0.0807,wR2=0.2187,S=1.03.配合1中Co(Ⅲ)分别与3个二齿配体上的3个O原子和3个N原子配位,形成轻度扭曲的八面体构型.分子间通过C—H…Br弱作用相互连接形成三维网络结构.

  • 标签: 溶剂热 5-溴水杨醛缩乙胺希夫碱 Co(Ⅲ)配合物 晶体结构
  • 简介:Tetrabutylammoniumorpotassiumsaltsoforganometalllicderivativesoflacunarypolyanion(RM)3P2W15O59^n-(RM=CpTi,CpZr,C4H7O2SnorC5H9O2Sn)havebeenpreparedandstructurallycharacterizedbyelementalanalysis,IR,UV-Vis,^1HNMRand^183WNMRspectroscopies.Thetitlecomplexesexhibitantitumoractivityinvitro.

  • 标签: 抗癌抗菌素 抗癌活性 合成 结构 多氧钨酸盐
  • 简介:通过水热合成方法合成了三维超分子化合(C6H8N)6(PW12O40)(OH)3·5H2O,采用IR、单晶X射线衍射法、TG/DTG循环伏安法对标题化合进行结构、热稳定性和电化学性质研究.结构解析表明,化合属于六方晶系,P-3空间群,晶胞参数a=1.39301(14)nm,b=1.39301(14)nm,c=1.02570(10)nm,V=1.7237(3)nm3,Z=1,Dc=3.452g/cm3,最终偏差因子R1=0.0683,wR2=0.1667.该化合通过氢键作用形成3D超分子结构.

  • 标签: 多金属氧酸盐 晶体结构 氢键 热重分析 电化学性能
  • 简介:Anewμ3-Otriiron(Ⅲ)complex[Fe3O(OBz)6(CH3OH)3](NO3)(CH3OH)2(HOBZ=benzoicacid)hasbeensynthesized,itsstructurehasbeendeterminedandvariabletemperaturemagneticsusceptilityhasalsobeenmeasured.Inthemolecule,threeironatomsformedanequilateraltrianglewithu3-Oincenter.ThefittingtothemagneticsusceptibilityshowedthatanintramolecularantiferromagneticexchangeinteractionoccurredbetweenironatomswithJ=-25.51cm-1,andaweakerintermolecularantiferromagneticexchangeinteractionoccurredwithzJ’=-2.30cm-1.

  • 标签: Crystal STRUCTURE MAGNETIC exchange triiron complex.
  • 简介:运用水热法合成了1个新的配合[Ni(Phtpy)2](CH3COO)2(化合1),(Phtpy=4′-苯基-2,2′∶6′,2″-三联吡啶),并通过X-射线单晶衍射方法确定了该化合的晶体结构.结构分析表明化合1属于三斜晶系,P-1空间群,晶胞参数a=0.90560(8)nm,b=1.10307(9)nm,c=2.02014(15)nm,α=94.3830(10)°,β=100.9830(10)°,γ=106.3120(10)°,V=1.8831(3)nm3,Z=2,R1=0.0872,wR2=0.1831.配合中存在3种氢键和多种π-π相互作用,使其成为3D配合.

  • 标签: Ni(Ⅱ)配合物 4′-苯基-2 2′∶6′ 2″-三联吡啶 晶体结构
  • 简介:AseriesofnovelN-(3-furan-2-yl-1-phenyl-1H-pyrazol-5-yl)amidesderivativesweredesignedandsynthesized.Theirstructureswereconfirmedby1HNMR,13CNMRandHRMS.Alltitlecompoundswereevaluatedfortheirherbicidalandantifungalactivities.Preliminarybioassayresultsindicatedthatthetitlecompoundsshowedgoodtomoderateherbicidalactivityat1000mg/L.Compound6qpresentedthebestactivityagainstDigitariasanguinalis(L)Scop.,AmaranthusretroflexusL.andArabidopsisthalianawithaninhibitiondegreeoffive.Compound6dalsoshowedaninhibitiondegreeoffiveagainstD.sanguinalis.Inaddition,at50mg/L,mostcompoundsexhibitedgoodinvitroantifungalactivityagainstSclerotiniasclerotiorum,withcompound6cshowingover90%antifungalactivityagainstS.sclerotiorumandPelliculariasasakii.

  • 标签: 酰胺衍生物 生物活性 设计合成 除草活性化合物 抗真菌活性 油菜菌核病
  • 简介:本文报道了用x-射线衍射法测定的硝酸镧和硝酸钕的15-王冠醚-5络合[La(NO33·C10H20O5(La—L)和Nd(NO33·G10H20O5(Nd—L)]的晶体结构.测定表明,La—L和Nd—L是同构的.稀土金属离子没有进入冠醚环的平均平面,而是被夹在冠醚环与三个硝酸根的中间.冠醚环上的五个氧从侧全部同中心金属离子形成配位键,而三个硝酸根则各有两个氧原子从另侧与金属离子络合,使络合分子的稳定性得到满意的解释.而La—O平均键长比Nd—O的平均键长大0.056,同镧系收缩理论相符.

  • 标签: 冠醚 晶体结构 硝酸钕 中心金属离子 配位键 稀土金属离子
  • 简介:Yb3+complexeswithtwonitrilotriaceticacidmoleculeswerepreparedandtheircompositionsweredeterminedasK3[Yb(nta)2(H2O)]*5H2OandNa3[Yb(nta)2]*6H2Obyelementalanalyses.Theirstructureswerecharacterizedbysingle-crystalX-raydiffractionanalyses.IncomplexK3[Yb(nta)2(H2O)]*5H2O,theYbN2O7partformsanine-coordinatemonocappedsquareantiprismaticstructure.IncomplexNa3[Yb(nta)2]*6H2O,theYbN2O6partformsaneight-coordinatesquareantiprismaticstructure.Itcanbeseenthattheoutercations(K+andNa+)greatlyaffectthecoordinationnumberandcoordinatestructurefromtheseresults.

  • 标签: 次氮基三乙酸 镱配合物 合成 晶体结构 X射线衍射
  • 简介:采用密度泛函方法(B3LYP)优化了MX2(AsH3)2[M=Pd;X=Cl(1),Br(2),I(3)和M=Pt;X=Cl(4),Br(5),I(6)]的基态结构,得到的几何参数与实验结果符合.以基态几何为基础,将TD-DFT方法用于计算标题配合的电子吸收光谱.研究结果表明,金属的dx2-y2与配体所组成的反键轨道为LUMO轨道,从而该类配合具有d-d跃迁属性的吸收带;在多数跃迁过程中,配体也有较大的贡献.

  • 标签: 含时密度泛函方法 基态结构 电子吸收光谱 电荷转移 激发态性质 d^8金属配合物
  • 简介:Thesynthesisofopen-fiameworkmetalphosphateshasbeenasubjectofintenseresearchowingtotheirinterestingstructuralchemistryandpotentialapplicationsasionexchangers,catalystsandadsorbents.Alargenumberofthesematerialsaresynthesizedinthepresenceoforganicaminesasstructure-directingagents.Recently,manyresearchactivitieshavefocusedonthesynthesisofinorganic-organichybridframeworks.Ascomparedwithinorganicligands,theadvantageofusingorganicmultidentateligandsistheefficacyofrationaldesignofcrystallinesolidsthroughtheircoordinatingpropensitiesandgeometries.

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