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500 个结果
  • 简介:Thethermalbehavior,mechanismandkineticparametersoftheexothermicfirst-stagedecompositionofthetitlecompoundinatemperature-programmedmodewereinvestigatedbymeansofDSC,TG-DTGandIR.Thereactionmechanismwasproposed.Thekineticmodelfunctionindifferentialform,apparentactivationenergy(Ea)andpre-exponentialfactor(A)ofthisreactionare(3/2)(1-a)[-In(1-a)]^1/3,185.52kJ/moland10^17.78s^-1,respectively.Thecriticaltemperatureofthethermalexplosionofthecompoundis201.30℃.Thevaluesof△S^≠,△H^≠and△G^≠ofthisreactionare72.46J/(mol·K),175.1kJ/moland141.50kJ/mol,respectively.

  • 标签: 2 6-二(2 2 2-三硝基乙烷)甘脲 分解反应 化学动力学 化学热力学 反应机理
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  • 简介:Anewapproachtothesynthesisof2,2″-biflavanonesbythereductivedimerizationoffla-vonesisreported.Theproducts,theracemateandmesobiflavanones,havebeenseparatedandtheirstructureshavebeendeterminedonthebasisoftheirspectraldata.Theconfigurationof3bhasbeendeterminedbyX-raycrystallographyaswell.

  • 标签: REDUCTIVE SEPARATED BENZENE biflavanones absolute herein
  • 简介:Anewcompoundbasedonpolyoxovanadate[{Ni(en)2}2Sb8V14O42]·5.5H2O(en=ethylenediamine)(1)wassynthesisedhydrothermallyasblackrhombuscrystals.Compound1crystallizedinthemonoclinicsystemwithspacegroupP21/n,Z=4,a=1.46953(9)nm,b=1.28623(8)nm,c=1.76008(11)nm,β=105.7230(10)°.Intheasymmetricunit,cluster{Sb8V14O42}canbeconsideredasanSbderivativeofthe{V18O42}unit.Each{Sb8V14O42}clusterasabuildingblockinterconnectedtofourotherneighboringunitsby{Ni(en)2}bridginggroupswhicharelinkedthroughtheterminaloxygenatomsofthepolyoxoanions,formingatwodimensionalnetwork.

  • 标签: 中文 水热合成 复合物 二维 晶体
  • 简介:Themonomericcobalt-phosphite-thiolatocomplex[Co(mpt)2{P(OCH3)3}2]BF4(Hmpt=2-mercaptothiazoline)hasbeenpreparedandcharacterizedbyX-raycrystallography.ThecomplexcrystallizesinthemonoclinicspacegroupC2/cwitha=0.8078(5),b=2.6020(18),c=1.2191(7)nm,β=99.38(1)°,V=2.528(3)nm3,andZ=4.Thestructurecomprisesdiscretecations[Co(mpt)2{P(OCH3)3}2.]+andanionsBF4-,inwhichthecobalt(Ⅲ)atomiscoordinatedtotwochelatempt-andtwoas-orientedmonodentateP(OCH3)3ligandsinahighlydistortedoctahedralgeometry.ThemostdistortedanglesareS(2)-Co(1)-S(2a)of162.23(10)°andN(1)-Co(1)-S(2)of71.47(13)°,thelatteriscausedbythegeometricconstraintofthebidentateligandmpt-.CyclicvoltammetryhasbeenusedtostudytheelectrochemicalbehaviorofthetitlecomplexontheRelectrodeinMeCNsolutionwith0.1mol·L-1ofBun4NBF4aselectrolyte.TheresultsindicatethatthetitlecomplexisunstableinMeCN.

  • 标签: Cobalt(III) complex 2-mercaptothiazoline trimethylphosphite crystal structure
  • 简介:Metalion-imprintedlycrosslinkedchitosanresin1andresin2werepreparedbytheuseofCu^2+andNi^2+astemplateionsandglutaraldehydeascrosslinkingagent,respectively,ThroughinvestigationontheadsorptioncapactiesandbindingconstantsforCu^2+,Ni^2+andCo^2+ionsonchitosanresins,resin1andresin2exhibittheadsorptionselectivityforthemixturesolutionof1L1Cu^2+andNi^2+ions.Theadsorptionselectivityofmetalion-imprintedresinsfortheirtemplateionsinmuchhigherthanthatofuncrosslinkedchitosanresin.

  • 标签: 金属离子分离 脱乙酰壳多糖合成树脂 吸附选择性
  • 简介:TiO2@ZrO2@Y2O3:有coremultishell结构的Eu3+合成粒子通过layer-by-layer(LBL)的联合被综合自己组装方法和一个solgel过程。获得的样品与扫描电子被描绘显微镜学(SEM),传播电子显微镜学(TEM),X光检查光电子光谱学(XPS),X光检查衍射(XRD),和荧光spectrophotometry。结果证明合成粒子有coremultishell结构,球形的形态学,和狭窄的尺寸分布。TiO2核心上的ZrO2层的存在能有效地阻止在TiO2核心和Y2O3壳之间的反应;为在在TiO2@ZrO2@Y2O3的TiO2核心和Y2O3壳之间的反应的温度:Eucoremultishell黄磷能被300提高

  • 标签: 光致发光特性 二氧化钛 氧化锆 铕核 Y2O3 纳米TiO2
  • 简介:应用量子化学从头计算和密度泛函理论(DFT)对HO2+C2H2反应体系的反应机理进行了研究.在B3LYP/6-311G**和CCSD(T)/6-311G**水平上计算了HO2+C2H2反应的二重态反应势能面.计算结果表明,主要反应方式为自由基HO2的H原子和C2H2分子中的C原子结合,经过一系列异构化,最后分解得到主要产物P1(CH2O+HCO).此反应是放热反应,化学反应热为-321.99kJ.mol-1.次要产物为P2(CO2+CH3),也是放热反应.

  • 标签: 密度泛函理论 HO2+C2H2 势能面 反应机理
  • 简介:A60%Fe/Al2O3catalystwaspreparedbytheco-precipitationmethod.ItwasreducedbyH2toproducemetallicFe,whichwasthensulfidedbyCS2toFe0.96SandFe3S4orphosphidedbytriphenylphosphine(PPh3)inliquidphasestoFe2PandFeP.Itwasfoundthattheironsulfides(Fe0.96SandFe3S4)exhibitedthelowactivityforthehydrodesulfurization(HDS)reactions.TheHDSactivitywasalsolowontheFe(metal)/Al2O3andFe2P/Al2O3catalystssincetheywereconvertedintoFe0.96SandFe3S4duringtheHDSreactions.Incontrast,theFeP/Al2O3wasfoundtobestableandactivefortheHDSreactions.Inparticular,FeP/Al2O3possessedsignificantlysmallerFePparticlesthanFeP/C,leadingtothesignificanthigherHDSactivityofFeP/Al2O3thanFeP/C.

  • 标签: Fe2P/Al2O3 CATALYST FeP/Al2O3 CATALYST Liquid phase
  • 简介:Liquid-phase-exfoliationtechnologywasutilizedtopreparelayeredMoS2,WS2,andMoSe2nanosheetsincyclohexylpyrrolidone.Thenonlinearopticalresponseofthesenanosheetsindispersionswasinvestigatedbyobservingspatialself-phasemodulation(SSPM)usinga488nmcontinuouswavelaserbeam.ThediffractionringpatternsofSSPMwerefoundtobedistortedalongtheverticaldirectionrightafterthelasertraversingthenanosheetdispersions.Thenonlinearrefractiveindexofthethreetransitionmetaldichalcogenidesdispersionsn2wasmeasuredtobe10-7cm2W-1,andthethird-ordernonlinearsusceptibilityχ(3)10-9esu.TherelativechangeofeffectivenonlinearrefractiveindexΔn2e∕n(2e)oftheMoS2,WS2,andMoSe2dispersionscanbemodulated0.012–0.240,0.029–0.154,and0.091–0.304,respectively,bychangingtheincidentintensities.Ourexperimentalresultsimplynovelpotentialapplicationoftwo-dimensionaltransitionmetaldichalcogenidesinnonlinearphasemodulationdevices.

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  • 简介:在有ArSSAr的THF的SmI2的反应生产了二binuclear钐thiolate建筑群[(THF)3I2-Sm(-SAr)]2[Ar=Ph(1),4-Me2NC6H4(2)]在高收益。2的结构被单个水晶X光检查晶体学描绘。2的水晶与空格组和a=0.95705(13)一起属于三斜晶系的系统nm,b=1.22287(14)nm,c=1.26450(14)nm,=64.194(11)??匭吗??v??

  • 标签: 硫醇盐 合成方法 晶体结构 结构化学
  • 简介:有N-(2-propionic酸)的新奇金轧(III)建筑群-salicyloylhydrazone(C10H10N2O4,H3L)并且1,10-phenanthroline(C12H8N2,phen)被准备并且描绘。水晶结构[Gd(H2L)(HL)-(H2O)3]2潲楰湯捩???慳楬祣潬汹?票牤穡湯??ㄠ??桰湥湡桴潲楬敮???????楢慯瑣癩瑩?

  • 标签: 邻二氮杂菲 晶体结构 X射线衍射 三斜晶系