简介:PhotocatalyticH2productionhasemergedasoneofthemostcleanandpromisingrenewableenergysources.InspiteoftheeffortstoobtainefficientphotocatalystsabletoproduceH2fromSunlightandwater,thereisstilltheneedtopreparecheaperandenvironmentalfriendlierphotocatalysts.Phosphatebasedmaterialscouldbegoodcandidatestofulfilltheserequirements.InthismanuscriptwehavepreparedasetofmixedTi3+/Ti4+valence,open-frameworktitaniumphosphates(of-TiPO4)andmixedtitaniumoxide/phosphatederivatives(cr-TiP),correlatingtheirstructureandcompositionwiththephotocatalyticactivityforH2production.Wedeterminedthatmixedtitaniumoxide/phosphatecrystallinephasesproducedenhancedH2evolutionunderSunsimulatedlightirradiationthanmixedTi3+/Ti4+valence,open-frameworktitaniumphosphatesandtitaniumoxidephases.
简介:Inamixedsolventofaceticacid(AcOH)/water,methylenediphenyldicarbamate(MDC)wassynthesizedbythecondensationofmethylphenylcarbamate(MPC)andformaldehydeinthepresenceofaninorganicacidcatalyst.BasedonthedifferentsolubilitiestoMPCandMDC,themixedsolventshowedhighercatalyticperformancethanpurewater.ThemixedsolventnotonlypromotedthecondensationofMPCbutasloexhibitedtheadvantageoftheproductseparationwiththereactants.Undertheoptimizedconditions:aH_2SO_4massfractionof31%,areactiontemperatureof95℃andreactiontimeof3.5h,theyieldofMDCreached74.3%.Inaddition,therecycleofthesolventwasalsoinvestigated.
简介:OpticallypureL-butyllactatewassynthesizedbynormaltransesterificationusingnafion-Hcatalystinmoderateyield.Variousreactionconditionswereinvestigated,includingthereactiontemperature,reactiontime,ratioofthestartingmaterialandamountofthenafioncatalyst.
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.
简介:用量子化学B3LYP/6-311+G(d,p)方法优化了H2ClCS单分子分解反应驻点物种的几何构型,并在相同水平上通过频率计算和内禀反应坐标(IRC)分析对过渡态结构及连接性进行了验证.用QCISD(T)/6-311++G(d,p)方法计算各物种的单点能,并对总能量进行了零点能校正.利用经典过渡态理论(TST)与变分过渡态理论(CVT)并结合小曲率隧道效应模型(SCT),计算了主反应通道在200K~2000K温度范围内的速率常数kTST,kCVT和kCVT/SCT.结果表明,H2ClCS存在8条可能的裂解通道,可生成产物P1(HCS+HCl),P2(CSH+HCl),P3(H2S+CCl)和P4(ClHCS+H).所有反应均为吸热反应.相对于H2ClCS,各产物能量分别为60.9,222.9,275.7和156.9kJ.mol-1.通道H2ClCS→TS3→P1的反应势垒为81.5kJ.mol-1,是标题反应的主反应通道,其余通道为次反应通道.在200K~2000K温度区间内得到主反应通道的表观反应速率常数三参数表达式为.kCVT/SCT=8.7610T0.79exp(-4053.6/T)s-1.
简介:Takingadvantageofthelargeγ-detectorarrayGammasphereandtherecoilmassseparatorFMA,highspinstatesin117Bawereinvestigatedthroughtherecoil-β-delayedprotondecaytaggingtechniqueviatheheavy-ioninducedfusion-evaporationreaction64Zn(58Ni,2p3n)117Ba,atabeamenergyof305MeV.Promptγraysbelongingto117Bahavebeenidentifiedfurthermore,arotationalbandhasbeenidentifiedforthefirsttimeandpresentedasbandAinFig.1.
简介:合成了氰根桥联配合物Co[Fe(CN)5NO].5H2O,使用元素分析、热重分析、红外光谱、XRD对配合物进行了表征。红外光谱显示金属离子通过氰根桥联即FeII-CN-NiII传递磁相互作用,是属于桥式氰根配体的CN伸缩振动,而粉末XRD衍射图表明此化合物为面心立方体结构(FCC),空间群为Fm3m(225),晶格常数a=10.2856。通过对该配合物的直流变温磁化率和交流磁化率测定表明金属离子通过氰根传递弱反铁磁作用,根据Curie-Weiss定律,拟合数据获得居里常数C=1.55cm3·K/mol,顺磁居里温度θ=-1.87K。