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简介:Thesolidaddofthefirstprotonatedzincoborophosphate,(H3O)Zn(H2O)2BP2O8·H2O(1),wassoventothermallysyn-thesizedbythereactionofZn(NO3)2·6H2OandH3BO3withH3PO4inamixedsolvent,andstructurallycharacterizedbysingle-ystalX-raydiffractionanalysis.ItcrystallizesinthehexagonalP6122,a=0.9604(4)nm,c=1.5297(6)nm,V=1.2218(8)nm^3,Dc=2.921g/cm^3,Z=6,F(000)=1080,μ=3.495mm^-1.Thestmchwefeaturesthatthetetrahedra-te-trahedrahdlcesinterconnectedbyoctahedraandstronghydro-gembondinteractionsformathree-dimensionalframework.Theprotonatedwatermoleculesarelocatedatuniquepositions.othercharacterizationsbyIRandthermalanalysisarealsode-scribed.
简介:Theground-stateandthermodynamicpropertiesofquantummixed-spinchainsof1/2-1/2-1-1and3/2-3/2-1-1areinvestigatedbyaquantumMonteCarlosimulationwiththeloop-clusteralgorithm.For1/2-1/2-1-1chain,wefindithastwophasesseparatedbyanenergy-gapvanishingpointintheground-state.For3/2-3/2-1-1chain,thenumericalresultsshowtwoenergy-gapvanishingpointsisolatedbydifferentphasesinitsground-state.Ourcalculationsindicatethatallthesegroundstatephasescanbeunderstoodbymeansofvalence-bond-solidpicture,andthethermodynamicbehavioratfinitetemperaturesiscontinuousasafunctionofparameterα=J2/J1.
简介:Reactionof(MeC5H4)3LnwithHOCH2CH2NMe2intetrahydrofuran(THF)givesthenewcomplexes[(MeC5H4)2Ln(μ-OCH2CH2NMe2)]2(Ln=Sm,Y,Nd)withnitrogenfunctionalizedμ-alkoxideligand.ThecomplexeswerecharacterizedbyelementalanalysisandIR,and[(MeC5H4)2Sm(μ-OCH2CH2NMe2)]2wasstructurallycharacterizedbytheX-raydiffractiontobeadimerformedbytwounsymmetricoxygenbridges.ThecomplexhasatricyclicskeletonwiththeadditionaltwoSm-NbondsviaintramolecularcoordinationofOCH2CH2NMe2.ThecoordinationnumberofthecentralmetalSmisnine.Thetitlecomplexesshowgoodcatalyticactivityforring-openingpolymerizationofε-caprolactone.
简介:Inpursuingexcellentsupercapacitorelectrodes,wedesignedaseriesofM0S2/C0S2compositesconsistingofflower-likedMoS2andoctahedron-shapedCoS2throughafacileone-stephydrothermalmethodandinvestigatedtheelectrochemicalperformanceofthesampleswithvarioushydrothermaltime.Duetothecouplingoftwometalspeciesandabigamountofwell-developedCoS2andMoS2,theresultsindicatedthattheMoS2/CoS2compositeselectrodesexhibitedthebestelectrochemicalperfor-mancewithalargespecificcapacitanceof490F/gat2mV/sor400F/gat10A/gamongallsamplesasthehydrothermaltimereached48h(MCS48).Furthermore,theretentionofMCS48is93.1%after10000cyclesat10A/g,whichmanifeststheexcellentcyclingstability.TheoutstandingelectrochemicalperformanceofMCS48indicatesthatitcouldbeaverypromisingandnovelenergystoragematerialforsupercapacitorsinthefuture.
简介:Thedipole-length,velocityandaecelerationabsorptionoscillatorstrengthsforthe1s^22p-ls^2nd(3_
简介:本文研究了以TiO2-Sb2O3/SO4^2-为催化剂,催化假性紫罗兰酮合成紫罗兰酮。探索了反应温度、反应时间、催化剂用量、溶剂用量等因素对环化反应的影响。最佳合成条件:6mL假性紫罗兰酮,催化剂用量为1.8g,溶剂用量为6mL,环化反应温度为30℃,反应时间为3.0h,紫罗兰酮产率约为70%。
简介:采用Nb2O3、Y2O3复合稳定剂,制得了高韧性、高强度的四方相ZrO2陶瓷材料,发现在Y2O3-ZrO2材料中加入0.5~1molNb2O3,可使材料在保持原有抗弯强度的同时,一定程度上改善了断裂韧性和相组成。
简介:增加的CeO2(ZrO2)/TiO2催化剂独立由大音阶的第五音胶化和受精的方法准备了的一系列镨为选择催化减小被测试没有,并且由X光检查衍射(XRD)描绘了,N2-brumauer-emmett-teller(N2-BET),NH3-temperature规划了解吸附作用(NH3-TPD),H2-temperature规划了减小(H2-TPR),PL系列,拉曼系列,电子顺磁的回声(EPR)一催化性能上的准备方法的影响被学习。结果证明CeO2(ZrO2)/TiO2催化剂的催化性能上的Pr增加的影响在大音阶的第五音胶化方法和受精方法之间是不同的。Pr增加趋于与TiO2交往并且当它是更可能的与在受精方法形成Ce-O-Pr的结构的CeO2交往时,在大音阶的第五音胶化方法形成了Ti-O-Pr的结构。大音阶的第五音胶化方法准备的催化剂的全部的酸数量和氧化还原作用性质与Pr元素的增加减少了,它导致了催化活动的减少。相反,受精方法准备的增加Pr的催化剂被发现拥有更容易的reducibility,更多的全部的酸数量和Ce3+种类的更高的比例,它为更高催化的活动是赞成的。
简介:在甲烷(POM)的部分氧化的催化活动和稳定性混合方法的CeO2-ZrO2和-Al2O3的影响在Ni/Ce0.7Zr0.3O2-Al2O3催化剂上被调查。催化剂被XRD,TPR,H2-chemsorption,和TG-DTA描绘。为新鲜催化剂,结果证明混合催化剂(原子)的盐先锋比混合方法(摩尔)和机械地混合方法(MECH)的粉末的催促的人准备的催化剂介绍了更好的性能。XRD的结果建议在在原子样品的CeO2-ZrO2和Al2O3之间的相互作用比其它强壮,它导致了更多的格子缺点和从而更好的起始的活动。而且,MECH样品在24h稳定性测试有最好的稳定性和最少的焦炭免职。TPR和H2-chemsorption的结果显示在MECH样品的Ni-Al的亲密接触提高了抵抗焦炭免职和金属sintering的能力。
简介:TiO2nanoparticleswithdifferentphasesarepreparedbyhydrolysisoftitaniumtetrabutoxideinthepresenceofHCl.ThecompositionandmicrostructureoftheresultingsamplesarestudiedbyXRDandTEM.TheseresultsshowthattherangeofparticlesizeofTiO2isfrom20to30nm.ThemechanismofTiO2photocatalysisreactionhasbeendiscussedextensively.PhotocatalyticactivitiesofnanometerTiO2arealsoevaluatedbydegradationofthecrystalvioletsolution.ExperimentalresultsindicatethatthesynergisticactionofH2O2andultrasonicwavegreatlyenhancesphoto-catalyticreactionofTiO2.
简介:Thecrystalandmolecularstructuresof[(C3H7O)2PS2]2(CCDCNo.217201)weredeterminedbymeansofX-raycrystallography.ItcrystallizedinatriclinicsystemwithspacegroupP1^-andlatticeparametersa=0.82794(3)nm,b=0.84764(2)nm,c=0.85034(3)nm,α=97.78(3)°β=110.77(3)°,γ=94.95(3)°,V=0.54701(9)nm^3,Z=1.Inthismolecule,thetwodiisopropyldithiophosphategroups,[(C3H7O)2PS2]2,whichareparalleltoeachother,arelinkedbyanS--Sbondandthereexistinversioncentersinthemolecule,Inthestructure,theP=Sbondsinthetwodithiophosphateunitsaretrans-orientedtoeachother.
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.
简介:文章用2-(5-甲基-1,3,4-噻二唑)-硫乙酸配体和1,2-顺(4-吡啶)乙烷配体用水热法合成了一个镍配合物{[Ni(bpe)(Hmtyaa):(H:0):]}lq(1)(Hmtyaa=2-(5-甲基-1,3,4-噻二唑)-硫乙酸;bpe=1,2-顺(4-吡啶)乙烷,用X-射线单晶衍射仪测定了配合物的单晶结构,并对它进行了元素分析、红外光谱、热重和粉末X-射线衍射表征.配合物1属于单斜晶系C2/c空间群.X-射线单晶结构分析表明配合物1中镍原子采取六配位扭曲的八面体配位模式.bpe配体采取双齿桥连模式将临近的镍原子连接成一维链状结构,在配合物1中配位水与羧基氧以及配体中的氮原子之间的氢键作用将链状结构连成三维网状结构.