简介：Twoseriesofmixedoxides,CoAlMandMgAlM(M=Cr,Mn,Fe,Co,Ni,Cu),werepreparedbycalciningtheircorrespondinghydrotalcite-likecompounds(HTLc).TheratioofMg:Al:M(orCo:Al:M)was3:1:1.ThecatalyticactivityofallsamplesforthereactionofNO+COwasinvestigated.TheresultsshowedthattheactivityofCoAlMwasmuchhigherthanthatofMgAlM.ThestructureandthepropertyofredoxwerecharacterizedbyXRDandH2-TPR.TheresultsindicatedthatonlyMgOphasewasobservedaftercalciningMgAlMhydrotalcites,andthetransitionmetalsbecamemorestable.Thespinel-likephaseappearedinallofCoAlMsamplesafterthecalcination,andthetransitionmetalswerechangedtobemoreactive,andeasilyreduced.TheactivitiesofthreeseriesofmixedoxidesCoAlCuobtainedfromdifferentpreparationmethods,differentratioofCo:Al:Cuandatdifferentcalcinationtemperatures,werestudiedindetailforproposingthemechanismofreaction.TheabilityofadsorptionofNOandCO

简介：ThebindingofCo(bpy)2dppz3+tocalfthymusDNAwasinvestigatedbyusingabsorptionandemissionspectroscopy,DNAmeltingtechniques,cyclicvoltammetry,viscosityandelectro-phoresismeasurements,wherebpyis2,2’-bipyridyl,dppzisdipyrido[3,2-o:2’,3’-c]phenazine.Thebindingcompoundshowsabsorptionhypochromicity,fluorescenceenhancement,andincreasingofDNAmeltingtemperatureandthespecificviscosity.CVmeasurementshowstheshiftsinoxidation-reductionpotentialandchangeinpeakcurrentwithadditionofDNA.ThecompoundisalsoshowntobemoreefficientphotosensitisersforstrandbreaksinplasmidDNA.

简介：用Co2（CO）8与CH3CSNH2反应制得产物Ⅰ，又用Na2Fe（CO）4与Ⅰ反应制得产物Ⅱ（Ⅰ：Co3（μ3－S）（CO）7（CH3CSNH），Ⅱ：Co2Fe（μ3-S）（CO）7（CH3CSNH）．通过元素分析。IR、UV、1HNMR、MS表征并用X射线衍射法测得Ⅱ的单晶结构.该簇合物属三斜晶系、PT空间群，晶胞参数：a=0．9203（1），b=1．1296（2），c=1.1425（2）nm；α=116．40°（2），β＝101．92°（2），γ＝92．58°（1）；z＝2，V=1．2162nm3，Dc＝1．698cm3，μ＝21．89cm-1.结构分析表明，Co2FeS构三角锥分子骨架，所有CO均为端基配体，S1为面桥基配体，CH3CSNH为双齿配体，与Co、Fe形成五元环结构．

简介：TwopossiblereactionmechanismsofVS~+(~3∑~-,~1Γ)withCOinthegasphasehavebeenstudiedbyusingB3LYP/TZVPandCCSD(T)/6-311+G(3dr,3pd)methods:theO/Sexchangereaction(VS~++CO→VO~++CS)andtheS-transferreaction(VS~++CO→V~++COS).Thetworeactionsproceedviatwo-stepandone-stepmechanism,respectively.ThebarriersofthetripletandsingletPESsare30.6and50.9kcal/mol,respectively,forO/Sexchangereactionand7.3and50.2kcal/mol,respectively,fortheS-transferreaction.Theresultsindicatethatthetripletgroundstatereactionismorefavorable,andtheS-transferreactionismorefavorablethantheO/Sexchangereaction,whichisingoodagreementwiththeexperimentalobservation.

简介：CO2-copolymerbasedpolyurethanefoamsweresynthesizedandcharacterizedinthispaper.Thefoamswerefoundtohavehigherstrengthandlowerheatofcombustionthantheconventionalpolyetherpolyurethanefoams.Theymayfindwideapplicationsinmanyfields.

简介：ＴＨＥ　ＳＵＰＰＯＲＴＥＤ　ＧＯＬＤ　ＣＡＴＡＬＹＳＴＳ　ＦＯＲ　ＣＬＯＳＥＤ　ＣＹＣＬＥ　ＣＯ２　ＬＡＳＥＲＴＨＥＳＵＰＰＯＲＴＥＤＧＯＬＤＣＡＴＡＬＹＳＴＳＦＯＲＣＬＯＳＥＤＣＹＣＬＥＣＯ２ＬＡＳＥＲ￥ＺｈｅｎｇＰｉｎｇＨＡＯ；ＬｉＤｕｎＡＮ；...

简介：Threeheterobinuclearcomplexesweresynthesized,namely[Cu(oxpn)Co(L)2](ClO4)2·xH2O(L=2,2’-bipyridyl(bpy),1,10-phenanthroline(phen),and5-nitro-1,10-phenanthroline(NO2-phen)),whereoxpnrepresentsN,N’-bis(3-aminopropyl)oxam-ido.Basedon1R,elementalanalysis,conductivitymeasurementandelectronicspectra,thesecomplexeswerecharacterizedbyanextendedoxamido-bridgedstructurewithCu(Ⅱ)inaplanarenvironmentandCo(Ⅱ)inaoctahedralenvironment.ThesymmetryofthecationisveryclosetoC2v.Thecomplexeswerealsocharacterizedwithvariabletemperature(4~300K)magneticsusceptibility,andthedatawerefitforthesusceptibilityequationderivedfromspinHamilton,H=-2JS1.S2-DSx12byleastsquarestrategy.Theexchangeintegral,J,wasfoundtobe-22.36cm-1(forbpy);-15.45cm-1(forphen);-19.10cm-1(forNO2-phen),indicatingthatthereisaweakantiferromagneticspin-exchangeinteractionbetweenthemetalions.

简介：［1］G.C.Chinchen,P.J.Denny,J.R.Jennings,M.S.Spencer,K.C.Waugh,Appl.Catal.,1988,36,1.［2］R.A.Koppel,A.Baiker,Appl.Catal.,1992,84,77.［3］M.Satio,T.Fujitani,M.Takeuchi,T.Watanabe,Appl.Catal.,1996,138,311.［4］J.A.Brown,N.Homs,A.T.Bell,J.Catal.,1990,124,73.［5］J.S.Lee,K.Moon,S.H.Lee,S.Y.Lee,Y.G.Kim,Catal.Lett.,1995,34,93.［6］C.Frohlich,R.A.Koppel,A.Baiker,M.Kilo,A.Wokaun,Appl.Catal.,1993,106,275.［7］J.F.Deng,Q.Sun,Y.L.Zhang,D.Wu,S.Y.Chen,Appl.Catal.,1996,139,75.［8］K.K.Bando,K.Sayama,H.Kusama,K.Okabe,H.Arakawa,Appl.Catal.,1997,165,391.［9］G.C.Chinchen,K.C.Waugh,D.A.Whan.Appl.Catal.,1986,25,101.［10］B.Denise,R.P.A.Sneeden,B.Beguin,O.Cherifi.Appl.Catal.,1987,30,353.［11］G.C.Chinchen,K.C.Waugh.J.Catal.,1986,97,280.［12］T.H.Fleisch,R.L.Mieville.J.Catal.,1984,90,165.［13］K.Klier,V.Chatikavanij,R.G.Herman,G.W.Simmons.J.Catal.,1982,74,343.［14］R.Burch,R.J.Chappel.Appl.Catal.,1992,45,65.［15］H.Berndt,V.Briehn,S.Evert.Appl.Catal.,B,1992,86,65.［16］W.P.Dow,Y.P.Wang,T.J.Huang.J.Catal,1996,160,155.

简介：在水的答案的Co3+水和上的详细理论调查借助于模拟基于原子契约electronegativity均等方法熔化了进分子的力学(ABEEM/MM)的分子的动力学(MD)被执行了。有效Co3+离子水潜力被为离子的簇适合到abinitio结构和有约束力的精力构造了。然后离子水相互作用潜力与ABEEM-7P水模型一起在联合被用于单个Co3+(aq)答案的分子的动力学模拟，设法复制答案的许多试验性的结构、动态的性质。这里，不是仅仅共有的财产(光线的分发功能，尖分发功能和solvation精力)获得了因为在ABEEM-7P水答案的Co3+在对从试验性的方法和另外的分子的动力学模拟而且费用分布的很有趣的性质的那些的好同意，水分子的几何学，氢债券，散开系数，震动的系列被ABEEM/MM调查模型。

简介：借助于G03W程序包,对系列氨基羧酸分子的羰基铼配合物进行了结构优化,并对其中的相关能量、键长、键角、布局数等进行了研究.计算结果表明：各配合物相对于羰基铼中间体均具有一定的稳定性;配体分子结构中含有杂环或者较多数目杂原子时,有形成相对更稳定配合物的趋势;配体分子结构中应含有适宜的间隔体,否则需经较大的结构扭转或局部原子的拥挤方可形成相应配合物.

简介：在G3（MP2）//B3LYP／6—311＋G（d，p）水平上，对CH3S自由基与CO气相反应的微观机理进行了理论研究．结果表明：该反应共存在3个反应通道，产物分别为CH3＋OCS，CH2S＋HCO和CH2S＋HOC．由于形成产物CH3＋OCS的活化势垒较低，因此为主要反应通道，这与实验观察到的结果是一致的．

简介：NanocrystallineanataseTiO2filmswithindiumtinoxide(ITO)coatedglassasthefilmsubstratewerefabricatedthroughspin-coatingtechnique.TheTiO2pasteswerepreparedwithsodiumdodecylbenzenesulfonate(DBS)modifiedTiO2nanocrystals,synthesizedbysol-hydrothermalprocessesinadvance,togetherwithdifferentamountsofpolyethyleneglycol(PEG)macromolecules.Theas-preparedfilmsweremainlycharacterizedbyultraviolet-visible(UV-Vis)spectroscopy,fieldemissionscanningelectronmicroscopy(FE-SEM)andwatercontactangle(WCA)measurement.EffectsoftheadditionofDBSandPEGonthewettingperformanceoftheresultingfilmsandrelevantmechanismswereprincipallyinvestigated.Theresultsshowthattheas-preparedfilmdisplayssuper-hydrophilicpropertyafterco-additionofDBSandPEGalthoughitisnotexposedtoultravioletlightpriortotheWCAmeasurement.Thisappealingresultismainlyattributedtotheproducedmicroandnanometer-scalehierarchicalsurfacestructurewithuniformlydispersedmicropapillae.EachpapillawasmadeupofagreatnumberofTiO2nanoparticles.ThepossibleformationmechanismsrelatedtotheDBSamphiphilicpropertyofthecharacteristicsurfacewerealsosuggested.Moreover,theresultingfilmalsoexhibitsconsiderabledurabilityinthesuperhydrophilicity,whichisveryusefulforpracticalapplicationinself-cleaning,anti-fogging,andbacteria-resistantfields.

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简介：ElectrolyticfixationofCO2wasinvestigatedbyelectrocarboxylationoforganichalides(RX),andfourestersⅠ,ⅡⅢ,Ⅳ)wereobtainedinmoderateyields.ElectrochemicalreductionesterificationsofRXinthepresenceofCO2werecarriedoutonnanocry'stallineTiO2-Ptelectrode.TheelectrochemicalbehaviorofRXinthepresenceofCO2wasinvestigatedbythetechniqueofcyclicvoltammetry,andtheprobablereactionmechanismw,asproposed.

简介：Muchattentionhasbeenpaidtothedevelopmentofnewpolymerelectrolytewithspecialmorphology,soastoimprovetheirelectrochemicalpropertiestomeettheneedsoflithium(ion)battery.Inthiswork,PEMlatexwassynthesizedbyemulsion-fi-eepolymerization.ThemicrophotoofPEMlate...

简介：AnAu/ceria(0.44%,massfraction)catalystcontaininggoldionswaspreparedbyamodifieddepositionprecipitationmethod,andtheevolutionofgoldionsinthecatalystanditsinfluenceonthecatalysisofCOoxidationwereinvestigated.Itwasfoundthattheas-preparedcatalystcontaininggoldionswithhighvalencecouldfullyoxidizeCOat–10°CinitiallybutwasdeactivatedgraduallyatlowtemperaturesduringthereactionwithCOortreatmentbyunpurifiedair.ThedeactivationofthecatalystduringCOoxidationortreatmentofitbyunpurifiedairwasindependentandprogressiveatlowtemperatureswhiletheactivityofthecatalystatrelativelyhightemperatureswasmaintainedwell.DuringthereactionwithCOortreatmentbyunpurifiedair,theXPSresultsindicatethatgoldspeciesevolvedfromhighvalencetolowvalenceandthediffusereflectanceUV-Visspectrashowthathighvalencegoldwasreducedtochargedgoldclusters,goldclustersgrewtosmallgoldcrystalsandsmallgoldcrystalsgrewtolargegoldparticles.Accordingly,thehighvalencegoldcorrespondedtotheactivityatlowtemperaturesandthemetallicgoldwasactiveandrelativelystableathightemperatures.Theturnoverfrequencies(TOF)ofthecatalyststreatedbydifferentmethodsat273Kdecreasedwiththeevolutionofgoldspeciesfromhighvalencetolowvalence,nomaximumofTOFwasobservedalthoughgoldparticlesinthecatalystattainedtoabout2―3nmduringthetreatment.AnAu/ceriacatalystwithagoldloadof0.87%(massfraction)maintainedagoodactivityforCOoxidationwithin18hatroomtemperature.Thecatalystswerecharacterizedviatransmittedelectronicmicroscopy(TEM),inductivelycoupledplasmaopticalemissionspectrometry(ICP-OES),X-raydiffraction(XRD)andBETspecificsurfaceareaandUV-VisDRSaswell.

简介：设计合成了一系列新型亚硝基硫醇类NO供体化合物,通过红外光谱、核磁共振氢谱、碳谱和质谱对化合物进行结构表征.考察了铜离子、光和pH值对化合物稳定性的影响,通过紫外-可见分光光度法对亚硝基硫醇官能团特征波长处的吸光度进行测定,以监测新型亚硝基硫醇化合物释放NO的快慢,实验数据反映出亚硝基硫醇分子结构与其稳定性存在一定规律.

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简介：Theepoxideisakindofversatileintermediateformanufactureofawidevarietyoffinechemicals.Thegoalofmodemefficientcatalyticmethodsistoproducedesiredcompoundswithhighyield,selectivity,lowcost,safety,operationalsimplicityandmoreimportantlyenvironmentallybenignmanner.However,therearevariousoxidants,whichareoftenhazardousorexpensive,beingusedforbothlaboratoryandindustrialepoxidation.Hydrogenperoxide(30wt%)solutionisthoughtasoneoftheidealoxidantsbecausewaterisasoletheoreticalsideproduct.Meanwhiletheepoxidationofstyreneisatypicaloneamongolefins.Here,theperformanceofstyreneepoxidationwasstudiedwithhydrogenperoxidesolutioncatalyzedbyCo(Ⅱ)phenanthrolinecomplexencapsulatedinsupercagesofMCM-41.

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