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500 个结果
  • 简介:Twonewdicyanamidecoordinationpolymers,{Mn(dmpz)[N(CN)2]2}2(1)and{Cu(dmpz)[N(CN)2]2}2(2)(dmpz=3,5-dimethylpyrazole),weresynthesizedandcharacterizedbysinglecrystalX-raydiffractionanalysisandIRspectroscopy.In1and2themetalionshavetwodifferentcoordinationmodes,whereoneiscoordinatedtofourdicyanamideanionsandtwomonodentatedmpzmoleculestoformaslightlydistortedoctahedralgeometry,whiletheotheradoptsoctahedralgeometry,surroundedbyfournitrileNatomsandtwoamideNatomsofthedicyanamideanions.Bothcomplexescontaintwoalternatingchainsthatareparalleltoeachother.

  • 标签: 氰氨基化合物 聚合体 晶体结构 3 5-二甲基吡唑
  • 简介:ThecrystalstructureofDi-nitratobis(ethylcaprolactam)uranyl(Ⅱ)UO2[CH2(CH2)4CONC2H5]2(NO3)2wasestablishedbyasingle-crystalX-raydiffractionstudy.Itistriclinie,spacegroupP1,witha=7.171(2),b=8.655(3),c=10.182(5)A,α=78.27(3),β=70.63(3),γ=81.76(3)°,V=581.7(4)A3,Z=l,Dc=1.94g.cm-3.FinalRvalueis0.0218.Theresultrevealsthaturanylioniscoordinatedtosixoxygenatoms,twoofthemarefromtwocarbonylgroupsofethylcaprolactamandtheotherfourarefromtwonitrategroups.

  • 标签: carbonyl coordinated nitrate NITRATOBIS NO3 ONC2H5
  • 简介:用离子交换法将具有Keggin结构TBA4H3PW7Mo3Cu2O38(H2O)2(M=Fe2+,Co2+,Cu2+,Ni2+和Mn2+)嵌入到Zn2A1黏土中,得到层状化合物LDH-PW7Mo3Cu2O38(H2O)2(M=Fe2+,Co2+,Cu2+,Ni2+和Mn2+),并用XRD,IR,uV对其进行了表征.结果表明:杂多阴离子进入黏土后,仍保留了其Keggin结构.利用合成层状化合物催化剂,以顺丁烯二酸与HzO。环氧化反应为模型反应考察其催化活性,结果表明:层状化合物在环氧化反应中显示优良催化性能.

  • 标签: 三元杂多阴离子 层状化合物 KEGGIN结构 环氧化反应
  • 简介:目前,抗氧剂市场规模大致与阻燃剂类同。工业界人士估计,日本国内市场需求量1.3万吨-2万吨/年,而亚洲市场需求量比日本国内需求量大约多一倍。自从2001年以来,树脂产量和销售量全部下降,受此影响,市场对抗氧剂需求也相应减少。

  • 标签: 市场需求量 抗氧剂 日本 产品 塑料 市场规模
  • 简介:以银离子、3,3′,4,4′-二苯硫酮四羧酸阴离子(tdpc)和4,4′-联吡啶(bipy),合成了一种新型化合物[十二水合(3,3,′4,4′-二苯硫酮四羧酸)(4,4′-联吡啶)水合银][Ag2(tdpc)(bipy)2][Ag2(bipy)2(H2O)].12H2O,该化合物链状结构,Ag…Ag相互作用,bipy间π-π相互作用和氢键作用将化合物联接三维超分子结构.

  • 标签: 银离子 四羧酸 联吡啶 晶体结构 配合物
  • 简介:  Enantioimericallypure1,l'-bi-2-naphthol(BINOL)1anditsderivativesareimportantchiralligandsandauxiliariesforanumberofasymmetrictransformations1suchasaldolcondensations,alkylations,Diels-Alderreactions,Michaeladditions,epoxidations,etc.Opticallypure1andtheirderivativeshavealsobeenusedextensivelyinchiralrecognition,chiralseparationandintheconstructionoffunctionalisedmaterials2.Furthermore,(R)-and(S)-BINOLarealsofundamentalstartingmaterialsforthesynthesisofalargevarietyofotherchiralbinaphthylssuchasMOP(2c),NOBIN(2d)andBINAP(2e).Asaresultthedevelopmentofefficientandeconomicmethodsforthepreparationofopticallypure1hasattractedmuchattentioninrecentyears3andnovelmethodsfortheresolutionof(±)-1continuetobedeveloped.……

  • 标签:
  • 简介:Themononuclearcomplex,[NtCl2(trzCHzCHzCOPh)4]·6H2O(trz=1,2,4-triazole),wassynthesizedanditsstructurewasdeterminedbysinglecrystalX-raydetermination.Itcrystallizesinthemonoclinicsystem,spacegroupP21/c,withlatticepa-rameters:a=0.80391(2)nm,b=1.06215(2)nm,c=2.90133(2)nm,β=94.792(1)°andZ=2.EachnickelatomiscoordinatedbyfourNatomsoftriazolefromfourβ-(1,2,4-IriHole-1-yl)propiophenoneligandsandtwochlorideanionsinarrangementwithoctahedralcoordinationgeometry.Inadditiontothecoordinatingnickelcomplex,therearesixunco-ordinatedwatermolecules.TheNi—Ndistanceis0.24865(8)nmandtheNi—Ndistaneesareintherangeof0.2072(2)to0.2099(2)nm,respectively.Inthesolidstate,theUtiecom-poundformsthreedimensionalnetworkstructurethroughhy-drogenbonds.Theintermolecularhydrogenbondsconnectthe[NiCl2(C2H2N3CH2CH2COPh)4]andH2Omoieties.Thedeepgreencrystalswerealsoexaminedbyelementalanalysis,FT-IRandUVspectra,whichareinagreementwiththestructuralda-ta.

  • 标签: 单晶结构 二氯镍 镍(Ⅱ)配合物 六水配合物 ·6H2O 八面体
  • 简介:AsimplespectrophotometricassayofH2O2andglucoseusingAgnanoparticleshasbeencarriedout.RelyingonthesynergisticeffectofH2O2reductionandultraviolet(UV)irradiation,Agnanoparticleswithenhancedabsorptionsignalsweresynthesized.H2O2servedasareducingagentintheAgnanoparticlesformationinwhichAg+wasreducedtoAg0byO2àgeneratedviathedecompositionofH2O2inalkalinemedia.Ontheotherhand,photoreductionofAg+toAg0underUVirradiationsalsocontributedtothenanoparticlesformation.ThesynthesizednanoparticleswerecharacterizedbyTEM,XPS,andXRD.TheproposedmethodcoulddetermineH2O2withconcentrationsrangingfrom5.010à7to6.010à5mol/L.Thedetectionlimitwasestimatedtobe2.010à7mol/L.SincetheconversionofglucosetogluconicacidcatalyzedbyglucoseoxidasewascompaniedwiththeformationofH2O2,thesensingprotocolhasbeensuccessfullyutilizedforthedeterminationofglucoseinhumanbloodsamples.Theresultswereingoodagreementwiththosedeterminedbyalocalhospital.Thiscolorimetricsensorthusholdsgreatpromisesinclinicalapplications.

  • 标签: 银纳米粒子 葡萄糖利用 过氧化氢 H2O2 UV 分光光度测定法
  • 简介:Thecopper(Ⅱ)complex[Cu3(nta)2(azpy)2(H2O2)]·6H2O(nta=nitrilotriacetate,azpy=4,4′-azobispyridine)hasbeensynthesizedandcharacterized.TheX-rayanalysisrevealsthattherearetwokindsofcopper(Ⅱ)coordinationenvironments.Cu(1)hasadistortedsquareplanesymmetryandCu(2)hasadistortedoctahedralsymmetry.Cu(1)islinkedtoCu(2)throughntaandboundtoCu(1C)byazpy,andCu(2)islinkedtoCu(2A)throughazpy,whichextendstotwo-dimensionalnetworkwithlargerhombus1.2nm×1.7nm.

  • 标签: 合成 结构 二(次氮基三乙酸酯)二(偶二嘧啶酰胺)二水三铜络合物
  • 简介:The2-Dheteronuclearcoordinationpolymer{[Ag4Fe2(SCN)12(H2O)2][(inaH)2(H2O)2]}n(1)(inaHistheabbreviationofprotonatedisonicotinicacid)withchemicalformulaC24H20Ag4Fe2N14O8S12hasbeensynthesizedandcharacterizedbysinglecrystalX-raydiffraction,elementalanalysisandIRspectroscopy.TheAgES2ringsconnecttwokindsofoctahedralgeometriesofFe(Ⅲ)ions,[Fe(NCS)6]^3-and[Fe(H2O)E(NCS)4]^-unitswithbridgingthiocyanateionsleadingto2-D[Ag4Fe2(SCN)12(H2O)2]^2-anionframework.Fourkindsofringsincludingtheunprecedentedthirty-twomemberedAg4Fe4(SCN)8ringssharecomersoredgesinthe2-Danionlayerstructure.AllthiocyanatescoordinatetothemetalionsaccordingtotheHSABprinciplewithNatomsbindingtotheFe(Ⅲ)ionsandwithSatomsbindingtoAg(I)ions.Pronoatedinacationsstabilizethelayerstructureascounterionsandhydrogenbondswereformedwithinthepronoatedinacationsdimerandbetweenthedimersandthelatticewaters.Crystaldata:Mr=1560.44,triclinic,P-↑1,a=0.76082(1)nm,b=0.9234nm,c=1.85611(4)nm,α=103.0170(10)°,β=93.7780(10)°,γ=97.4080(10)°,V=1.25385(3)nm^3,Z=1,μ(MoKα)=2.650mm^-1,Dc=2.067g·cm^-3,F(000)=758,R1=0.0412,wR2=0.1003.

  • 标签: 合成 晶体结构 异核核糖核酸 有机聚合物
  • 简介:运用G98W程序,采用Lan12dz基组,对茂金属配合物[2,5-(Me3Si)2MeC5H2FeI(CO)2]进行从头算研究,探讨了配合物结构单元稳定性、分子轨道能量、原子净电荷布居规律,以及一些前线分子轨道组成特征等.结果表明,标题配合物在能量上可作为结构单元而稳定存在.该结构单元茂金属配合物合成、分子组装分析和催化活性研究提供理论依据.

  • 标签: 茂金属 从头算 电子结构
  • 简介:Thecanonicalandlocatizedmolecutarorbitersof[NCCuS2NoS2]2-clusterwerecalculatedbymeansofCNDOquantumchemistrymethod.Thentheenergyandpropertiesofcorrespondingchemicatbondswerediscussed,especially,Cu-Sb-NothreecenterconjugatedπbondsandNo-St-Noconjugatedπbondswereaccountedfor.

  • 标签: CONJUGATED BONDS accounted CANONICAL ORBITAL bonding
  • 简介:NOVELOXIDATIONOFHEXABENZYLHEXAAZA-ISOWURTZITANEBYMeCHNO/CuCl/Py/OXiaoPeiGUAN;HongYAN;JianGuangSUN;YongZhongYU(ScholofChe?..

  • 标签: CUCL
  • 简介:Theinteractionsof2,2’-bipyridylwiththelanthanidenitrateswerestudiedandcomplexesoftheformulaLn(NO8)8(bipy)8wereisolatedfromwater-ethanolmixedsolvent.Thecomplexeswerecharacterizedbyelementalanalysis,conductivitymeasurments,IRspectraandDAT-TGanalysis.

  • 标签: COMPLEXES LANTHANIDE ETHANOL 初场 卜山 洲口
  • 简介:2,2’-二(1,1’-4-甲基-吡啶)联咪唑(L)、芳香二羧酸与乙酸镉在水热条件下反应得到了配位聚合物[Cd2(L)(p-bdc)2(H2O)2]n(1)和[Cd(L)0.5(m-bdc)]n(2),并用单晶衍射仪定义了其晶体结构.结构分析表明,配合物1结晶属于正交晶系,Ibca空间群,配合物2结晶属于单斜晶系,C2/c空间群,进一步分析表明,所合成2个化合物都是有扭曲α-Po拓扑三维网络结构.在室温条件下,配体L和2个配合物均表现出较好荧光性质.

  • 标签: 晶体结构 联咪唑 羧酸 荧光性质
  • 简介:Twooxo-vanadium(IV)complexes,[VO(C2O4)(2,2′-bipy)(H2O)]·C2H5OH(1)andVO(C2O4)(phen)(H2O)(2),where2,2′-bipy=2,2′-bipyridyl,phen=1,10-phenanthroline,weresynthesizedaspotentialfunctionalmodelsofvanadiumhaloperoxidases(VHPOs)inmixedsolventofethanolandwateratroomtemperature.Thecomplexeswerecharacterizedbyelementalanalysis,infrared(IR),UV-VisandX-raycrystallography.Structuralanalysesshowedthatvanadiumatomwascoordinatedbyaterminaloxygen,oneoxygenatomfromcoordinatedwater,twooxygenatomsfromthecarboxylategroupofoxalicacid,andtwonitrogenatoms(N1andN2)from2,2′-bipy/phen.Centralvanadiumatomsincomplexes1and2werebothinadistorted-octahedralenvironment,andsomeintermolecularhydrogenbondinglinkageswerealsoobservedineachcomplex.BrominationreactionactivityofthetwocomplexeswasevaluatedwithphenolredasorganicsubstrateinthepresenceofH2O2,Br-andphosphatebuffer,indicatingthattheycanbeconsideredasapotentialfunctionalmodelofVHPO.Inaddition,thermalanalysiswasalsoperformedanddiscussedindetail.

  • 标签: 过氧化物酶 模型化合物 结构表征 溴化反应 氧钒 仿生催化
  • 简介:Thecombinationofboth4,4′-bipyridine(4,4′-bipy)anddihydrogenphosphateanionligandswithcopper(Ⅱ)resultsintheformationofanovellayeredcompoundCu(4,4′-bipy)2(H2PO4)2(H2O)2.ThecrystalstructurecomprisesdiscreteneutralCu(4,4′-bipy)2(H2PO4)2(H2O)2units.Thecopperatom,locatedonthecrystallographictwofoldaxis,iscoordinatedwithtwonitrogenatomsofterminal4,4′-bipyligandsandtwowatermoleculesattheequatorialpositions,andtwodihydrogenphosphateoxygenatomsattheaxialpositions,forminganelongatedoctahedron.Thecomplexisatwo-dimensionaldistortedrhomboidalnetworkpossessingtwokindsofrhomboidswithdimensionsofca.1.6792nm×0.3203nmand1.2778nm×0.3198nm,respectively.Thetwo-dimensionalnetworksarestackedparallellyoneachotheralongc-axistogiveanextendedthree-dimensionalchannelnetworkwithaninterlayerdistanceofca.0.5030nm.Crystaldata:triclinic,spacegroupP-1,a=1.0253(2)nm,b=1.4501(3)nm,c=0.79715(16)nm,α=97.91(3)°,β=90.99(3)°,γ=85.54(3)°,V=1.1703(4)nm3,Z=2,R=0.0892,wR=0.2451.

  • 标签: 磷酸盐 4 4'-双吡啶 铜(Ⅱ)复合物 沟渠构造 热液合成
  • 简介:运用水热法合成了1个新配合物[Ni(Phtpy)2](CH3COO)2(化合物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物晶体结构.结构分析表明化合物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.配合物中存在3种氢键和多种π-π相互作用,使其成为一个3D配合物.

  • 标签: Ni(Ⅱ)配合物 4′-苯基-2 2′∶6′ 2″-三联吡啶 晶体结构
  • 简介:采用量子化学方法研究了CH2ClO2与NO反应机理.计算结果表明,CH2ClO2+NO反应主导产物CH2ClO+NO2,CHClO+HNO2,CHClO+trans-HONO,CH2O+trans-ClONO和CH2O+cis-ClONO.其他产物由于需要跨越能垒太高或者产物不稳定,对整个反应来讲可以忽略.

  • 标签: CH2ClO2 NO 大气反应 反应机理.