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500 个结果
  • 简介:Weperformfirst-principlecalculationsforthestudyoftheorthorhombicRb2Cd2(SO4)3structure.Electronicenergybands,totalandpartialdensitiesofstatesarereportedandanalysed.Itisfoundthatoxygenatomic2pelectronsstronglyhybridizewithRb/orCd4dandS2pstates,resultingintwo-typeionicgroupswithweakcouplings.Itisshownthatmacroscopicdomainwallsoriginatefromsuchweak-couplingionicgroups,arisingatthecellboundaries.Theasymmetriccationbonds(Rb-OandCd-O)andthesubsequentrotationsoftheS04tetrahedracanleadtothedrivingforceoftheferroelectricbehaviour.Thepredictedpyroelectriccurrenteffectsareobservedexperimentallyintheferroelectricphase.

  • 标签: 轨道杂交 斜方晶结构 氧原子 电子状态 铁电物质 畴壁能量
  • 简介:Kineticsofchloride/sulfate,chloride/nitrateandnitrate/sulfateforwardexchangesandreverseexchangesatsolutionconcentrationsof1N,0.2Nand0.02Non201×7strongbaseanionexchangeresin,respectively,havebeenexaminedat25℃.Itisfoundthattheforwardandthereverseexchangeratesofthetwogivenionsatlowsolutionconcentration,respectively,underidenticalconditionscanbecontrolledbydifferentmechanisms,whilethoseathighsolutionconcentrationareallcontrolledbyparticlediffusion.Theternaryexchangeratesofsulfate/(chloride+nitrate)andnitrate/(chloride+sulfate)havealsobeenexamined.

  • 标签: 二元离子交换 硫酸根-氯离子-硝酸根离子-201×7体系 三元离子交换 动力学
  • 简介:ThespinelLiMn2O4-x(SO4)xcompoundcathodematerialsweresynthesizedbysolid-statereactionofthecalculatedamountsofLiOH·H2O,MnO2andMnSO4.Theresultsoftheelectrochemicaltestdemonstratedthatthesematerialsexhbitedexcellentelectrochemicalproperties.Thehighestreversiblecapacityoftheseseriesofcathodematerialswas-120mAh/g,andafter50cycles,thisreversiblecapacitywasstillaround116mAh/gwithnearly100%reversibleefficiency,whichrevealedthatdopedsulfateioncouldimprovethestructuralstabilityofspinel.

  • 标签: 合成 电化学性 负极材料 尖晶石型硫酸锰酸锂 LiMn2O4-x(SO4)x 锂离子二次电池
  • 简介:TiO2nanoparticlesweresynthesizedbyahomogeneouscontrolledprecipitationmethodusingindustrialtitaniumsulfate(Ti(SO4)2).TheobtainedpowderswerecharacterizedbyX-raydiffraction(XRD),transmissionelectronmicroscope(TEM),Fouriertransforminfraredspectroscopy(FTIR)andICPplasmaspectrometer.EDTAwasusedascomplexingagenttoimprovethepurityandtheformationofTiO2nanoparticles.Experimentalresultsindicatedthatthehigh-purityTiO2nanoparticleswere20nminmeansizeandnearlymonodispersed.

  • 标签: 二氧化钛 纳米粒子 乙二胺四乙酸 配位
  • 简介:ThecrystalgrowthprocessofZn(Leu)SO4·0.5H2OformwaterandacetonewasinvestigatedusingaCalvetmicrocalorimeter.Theheatandtherateofheatproductionduringthecrystalgrowthprocessat293.15K,295.15K,298.15Kand300.15Kweremensured.Onthebasisofexperimentalandcalculatedresults,therateconstantandthekineticparameters(theactivationenergies,thepre-exponential)duringthecrystalgrowthprocesswereobtained.Theresultsshowthatthecrystalgrowthprocesswereobtainged.TheresultsshowthatthecrystalgrowthprocessaccordedwiththeBurton-Cabrera-Franddislocationtheory.

  • 标签: 结晶动力学 Zn(Leu)SO4·0.5H2O 晶体生长 丙酮 亮氨酸
  • 简介:Inthispaperwereportachemicaloscillationcatalyzedby[Ni(Me2[14]1,3-dieneN4)]2+(Me2[14]l,3-dieneN4denotes2,3-dimethyl-l,4,8,ll-tetraazacyclotetradeca-1,3-diene)inBrO3--pyruvicacid-H2SO4system.Thedomainoftheexistenceoftheoscillationwasobtained.Theeffectsofinitialconcentrationofthecomponentsontheoscillationwerestudied.Thefeaturesoftheoscillationsweredescribedindetail.WealsoexaminedtheeffectsofAg+,Hg2+,CCl4,freeradicalinhibitors,etc.ontheosillations.

  • 标签: Chemical OSCILLATION CATALYSIS INITIAL CONCENTRATION
  • 简介:Treatmentof4-amino-3-(1-aryl-5-methyl-1,2,3-triazol-4-yl)-5-mercapto-1,2,4-triazoles/2-amino-5-(1-aryl-5-methyl-1,2,3-triazole-4-yl)-1,3,4-thiadiazoleswithbenzaldehyde,acetoneandω-bromoacetophenonewastestedandcompared.ThetitlecompoundsSchiffbases,amides,imidazolo[2,1-b]-1,3,4-thiadiazolesand7H-s-triazolo[3,4-b]-1,3,4-thiadiazineshavebeenconfirmedbyelementalanalyses,^1HNMR,IRandMSspectra.AllthecompoundshavealsobeenscreenedfortheirantibacterialactivitiesagainstB.subtilis,S.aureusandE.coli.

  • 标签: 合成 抗菌活性 4-氨基-3-(1-芳基-5-甲基-1 2 3-三唑-4-基)-1 3 4-噻重氮 衍生物
  • 简介:Layereddoublehydroxides(LDHs)withhydrotalcite-typestructurecontainingFe3+,Al3+andMg2+werepreparedbymeansofacoprecipitationmethod.Theproductswerecharacterizedbyelementanalysis,X-raypowderdiffractionandtransmissionelectronmicroscopy.Itwasfoundthatevenifthemolarratioofn(Fe+Al)/n(Fe+Al+Mg)>0.33,yetapurehydrotalcite-likecompound(HTlc)phasewasgainedwhenn(Fe)/n(Al+Mg+Fe)≤0.30andn(Al)/n(Al+Mg+Fe)≤0.30;theAl(OH)3phaseappearedintheproductswhenn(Al)/n(Al+Mg+Fe)>0.30;andanamorphousphaseemergedwhenn(Fe)/n(Al+Mg+Fe)>0.33.TheseresultsshowthatthereisnoconcentrationsuperpositioneffectbetweenFe3+andAl3+onthecrystallinestateoftheproducedsamples.Inourpreviouswork,theconcentrationsuperpositioneffectbetweenZn2+andMg2+inthesynthesisofZn-Mg-Al-LDHswasfound.ForthepreparedFe-Al-Mg-LDHssamples,thevalueoflatticeparameteraisbetween0.30-0.32nm;andthevalueoflatticeparametercisbetween2.30-2.47nm,thebasalspacingisintherangeof0.76-0.83nm.Whentheratioofn(Fe)/n(Al)isaconstant,thevaluesofaandcincreasewiththeincreaseoftheMg2+contentoftheproducedsamples.Themeanparticlesizeandthemeancrystalgrainweredeterminedbyvirtueofaparticle-sizeinstrument,XRD-ScherrerformulaandTEMmethod,respectively.

  • 标签: 羟化物 水滑石结构 LDHS 元素分析 摩尔比
  • 简介:Thesynthesisof(S)-2-(3-arylacrylamido)-3-{4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]phenyl}propanoicacidsisdescribed.TheirstructureswereconfirmedbyH-NMR.

  • 标签: 丙酸 合成方法 分子结构 核磁共振
  • 简介:SYNTHESIS AND 183W NMR CHARACTERIZATION OF PW30Al(HO)O11220- HETEROPOLYANIONSYNTHESISAND183WNMRCHARACTERIZ?..

  • 标签:
  • 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:CuO/γ-Al2O3catalystswerepreparedbyplasmatreatmentandconventionalimpregnationmethods.Thecatalyticcombustionoftwokindsofvolatileorganiccompounds(VOCs),tolueneandbenzene,werecarriedoutovertheseCuO/γ-Al2O3catalysts.ThesurfacepropertiesofthesecatalystswerecharacterizedbyX-rayDiffraction(XRD)andScanningElectronMicroscopy(SEM).TheexperimentalresultsshowedthatincatalyticcombustiontheactivityoftheCuO/γ-Al2O3catalystpreparedviaplasmawasmuchhigherthanthatoftheCuO/γ-Al2O3catalystpreparedbyconventionalimpregnationmethod.XRDresultsshowedthatanenhanceddispersionhadbeenachievedwiththeplasmatreatment.SEMresultsindicatedthatthesizebecamemuchsmallerandthesurfacebecamemoreuniformwiththeplasmatreatment.

  • 标签: CUO/Γ-AL2O3催化剂 制备 等离子体处理 催化燃烧 挥发性有机化合物
  • 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:Thetitlecompounds5a-5cwerepreparedviathereactionofmethyl2-perfluoroal-kynoates(4)withmethyl5-oxo-4-(triphenylphosphoranylidene)hex-2-enoate(3),whichwasobtainedfromthereactionofmethylpropynate(2)withacetylmethylenetriphenylphosphorane(1)at-5-0℃.IntramoleculareliminationofPh3POtookplacewhencompound5washeatedinaqueousmethanolat115-120℃insealedtube,yieldingdimethyl2-trifluoromethyl-4-methylisophthalate(6a)from5aandmethyl5-acetyl-4-hydroxy-2-heptafluoropropanylbenzoate(6b)from5b,respectively.Thestructuresofcompounds5,6aand6bwereconfirmedbyIR,MS,1HNMR,19FNMRand13CNMRspectroscopyandelementalanalyses.Rectionmechanismsfortheformationofcompounds5,6aand6bwereproposed.

  • 标签: Phosphorane polysubstituted ARENE INTRAMOLECULAR CYCLIZATION
  • 简介:<正>Inthisnote.wewillshowthatnononuniformlatticeofSO(3,1)canbethefundamentalgroupofaquasi-compactKhlermanifold.Thus,combiningwiththeresultin[1].onegetsthatanonuniformlatticeinSO(n,1)(n≥3)cannotbeπ1ofanyquasi-compactKhlerianmanifold.

  • 标签: NONUNIFORM LATTICE KAHLER MANIFOLD FUNDAMENTAL GROUP
  • 简介:3-(2-Hydroxyphenyl)-6-(4-nitrophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine,C16H11N5O3S,waspreparedbythecyclizationof3-(2-hydroxyphenyl)-4-amino-5-mercapto-1,2,4-triazolewith2-bromo-4-nitroacetophenone.Thecompoundwascharacterizedbymeansofelementalanalysis,IR,1HNMR,13CNMR,massspectrometry,andX-raydiffraction.ThecompoundcrystallizesinamonoclinicsystemwithspacegroupCc,a=2.1853(4)nm,b=2.1192(5)nm,c=1.3526(3)nm,β=95.21(2)°,V=6.238(2)nm3,Dcalcd.=1.505Mg/m3,Z=16,F(000)=2916,R1=0.0501,wR2=0.0427.Acomparisonbetweenthecrystalstructuresof1,2,4-triazolo[3,4-b][1,3,4]thiadiazineand1,2,4-triazolo[3,4-b][1,3,4]thiadiazolewasmadeinthestructuralview.Atwo-dimensionalnetworkisformedbyhydrogenbondsandπ-πstackinginteractions.

  • 标签: 晶体结构 [1 3 4]噻二嗪 制备 光谱表征 Π-Π相互作用
  • 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