简介：3-Mercaptopropionicacidmonolayerprotectedgoldnanoclusters(MPA-MPCs)weresynthesizedandcharacterizedbytransmissionelectornmicroscopy,UV-Visspectroscopy,X-rayphotoelectronspectroscopyandFourlertransforminfraredspectroscopy.Theexactvalueofquantizeddouble-layercapacitanceofMPCsinaqueousmediawasobtainedbydifferentialpulsevoltammograms.
简介：Thebilayerorganiclight-emittingdiode(OLED)withabluefluorescentlanthanumcomplex,tris(1-phenyl-3-methyl-4-isobutyryl-5-pyrazolone)-(2,2′-dipyridyl)lanthanum[La(PMIP)3(Bipy)],asalightemittingmaterialandN,N′-diphenyl-N,N′-bis(3-methylphenyl)-1,1′-biphenyl-4,4′-diamine(TPD)asaholetransportingmaterialemitsbrightgreenlightinsteadofbluelight.Thedataoftheabsorption,thephotoluminescence(PL)andthephotoluminescenceexcitation(PLE)spectraofTPD,La(PMIP)3(Bipy)andthemixtureofTPDandLa(PMIP)3(Bipy)(molarratio1∶1)provethattheelectroluminescentemissionoriginatesfromtheexciplexontheinterfacebetweenTPDandLa(PMIP)3(Bipy).Byimprovingdeviceconfigurationwithtris(8-hydroxyquinoline)aluminum(ALQ)asanelectrontransportingmaterial,amaximumluminanceof800cd/m2wasobtained.
简介：Lens-likevateriteCaCO3microringscomposedofCaCO3nanoparticlesweresynthesizedviaamicro-emulsion-mediatedrouteatroomtemperaturewithethanolandn-hexanolasco-surfactant.Thisprocessdidnotde-mandanyadditionalenergysuchasheatingorcontinuousagitation.Itwasthefirsttimetouseethanolasco-surfactantinthesynthesisofmicroornanomaterials.AndtheethanolwasbelievedtoplayanimportantroleintheaggregationfashionofCaCO3nanoparticles.Moreover,shuttle-shapednanorods,hexagonalnanoplates,andrice-likenanoparticleswerealsofabricatedbymodulatingthegrowthparameters.Additionally,theintroduceofethanolintomicroemulsionsasco-surfactantmaybegeneralizedasanovelgreenroutetocontrolthestructureofotherfunctionalmaterials.
简介：Inthisletter,Fe2O3UFP（UltrafineParticles）hydrosolandorganosolwithhighthirdorderopticalnonlinearsusceptibility（3）havebeenreportedforthefirsttime.ThesurfacialmodificationofFe2O3UFPwithdodecylbenzenesulfonateions（DBS）canenhancethenonlinearopticalresponsethroughinterfacialconfinementofelectronmotion.Theinvolvedmechanismisdiscussed.
简介：本文探讨（CH3Li）4中键的作用,通过计算,发现（CH3Li）4分子的面甲基结构比顶甲基结构要稳定;指出Li—Li间的成键作用相当强,约为Li2分子中键作用的40%左右,估计（CH3Li）4中的J7Li-6Li值约为1Hz。
简介：6/3-(4-Chlorophenyl)-s-triazolo[3,4-b][1,3,4]thiadiazoles(2a-e)and(5a-e)weresynthesizedrespectivelybyintermolecularcyclizationof5-aryl/4-chlorophenyl-4-amino-3-mercapto-1,2,4-triazoles(1a-e)and(4)with4-chlorobenzoicacid/arylacids,whichwerecondensedwithpiperazineunderphasetransfercatalystTBABtoyieldthecorrespondingfreebasesofmonopiperazinederivativesandfollowedtoformwater-solublesalts(3a-e)and(6a-e)withhydrochloricacidingoodyields.Theinvitrobiologicalresultsshowedthatpiperazinegroupconjugatedwiththeabovefusedheterocyclesplayedanimportantroleinantibacterialactivity.ThestructuresofnovelcompoundswereconfirmedbyIR,1HNMR,MSandelementalanalysis.
简介：Novelsulfur-containingcompounds(3a–3c,4a–4c)wereobtainedinethanolwith1,3-diphenyl-2-propanoneasthestartingmaterial.Theadvantagesofthisprocedureweremildreactionconditions,simpleprotocol,andhighyields.ThestructuresoftheproductswerecharacterizedbyIR,1HNMR,MSandelementaryanalysis.Thecrystalofthenewcompound4abelongstomonoclinic,spacegroupC2witha=18.727(3),b=6.5179(9),c=13.7576(18),b=131.0610(10)°,V=1266.2(3)A3,Z=2,Dc=2.136g/cm3,μ=1.078mm-1,F(000)=843,R=0.0490andwR=0.1247for3211observedreflectionwithI>2δ(I).X-rayanalysisrevealsthatthemoleculeisnotsymmetrical,themolecularstructureisstabilizedbyweakp–pstackinginteractions,andnoclassicalhydrogenbondscanbeobserved.
简介：The2-C,methylenegroupof1-aroyl-1,2-dihydro-3H-naphtho[2,1-b]pyran-3-ones(2)havebeenshowedtopossessasuperiorreactivitytowardsmanyoforganicreagents.Thena-phthopyrones(2)condensedwitharomaticaldehydestogivethe2-arylidinederivatives(3).Bromin-ationof2gave1,2-dibromo(4)or5-bromo(5)derivativesdependingonthereactionconditions.Thebasecatalyzedadditionorcycloadditionofnaphthopyrones(2)to4-methoxybenzalacetophenonegavetheexpectedMichaeladduct(6)orthecyclicadducts(7-9)dependingonthetypeofcatalyticbaseandreactionconditions.Structuresoftheproductshavebeenestablishedbyelementalanalyses,IRand~1HNMRspectroscopicmethods.
简介：Yb3+complexeswithtwonitrilotriaceticacidmoleculeswerepreparedandtheircompositionsweredeterminedasK3[Yb(nta)2(H2O)]*5H2OandNa3[Yb(nta)2]*6H2Obyelementalanalyses.Theirstructureswerecharacterizedbysingle-crystalX-raydiffractionanalyses.IncomplexK3[Yb(nta)2(H2O)]*5H2O,theYbN2O7partformsanine-coordinatemonocappedsquareantiprismaticstructure.IncomplexNa3[Yb(nta)2]*6H2O,theYbN2O6partformsaneight-coordinatesquareantiprismaticstructure.Itcanbeseenthattheoutercations(K+andNa+)greatlyaffectthecoordinationnumberandcoordinatestructurefromtheseresults.
简介：运用多种方法、多种基组对PF（X3∑-）的平衡结构进行优化计算．用QCISD／6—311G（df）方法得到的平衡结构为RPF=0．1589nm，与实验值RPF=0．15897nm进行比较，最为接近，得出QCISD／6—311G（d，）基组为最优基组；然后对PF（X3∑-）进行单点能扫描计算，用正规方程组拟合Murrell-Sorbie函数，得到相应电子态的势能函数解析式，由势能函数计算了与PF（X3∑-）态相对应的光谱常数，结果与实验数据较为一致．这些数据为反应动力学提供了理论依据．
简介：1,2-rearrangementsofcarbenes:CCH2X（X=CH2,NHandO）arestudiedbyusingabinitiogradientmethod.HeteroatomsNandOstabilizethecarbeneanddecreaseitsreactivity,mainlybychangingfrontiermolecularorbitals,butretainthewayofthereaction.ThereactionstartsfromtheattackofthemigratinghydrogenonthecarbenepAOandendswiththeentranceofthehydrogenintothecarbeneσorbital.ReactivitiesareintheorderofX=CH2>NH>O.Thereactionisexothermicorendothermicaccordingtowhethertheproductisa4n+2or4nπelectronmolecule.
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![Hydrothermal Synthesis of a New Zinc Phosphite （CsH7N2）2·[Zn<b style='color:red'>3</b>（HPO<b style='color:red'>3</b>）4] with Intersecting 8- and 12-Ring Channels](/image/thesis13 "Hydrothermal Synthesis of a New Zinc Phosphite （CsH7N2）2·[Zn<b style='color:red'>3</b>（HPO<b style='color:red'>3</b>）4] with Intersecting 8- and 12-Ring Channels")
![Syntheses and Structural Researches of Yb^<b style='color:red'>3</b>＋ Complexes with Nitrilotriacetic Acids—Nine—coordinate K<b style='color:red'>3</b>[Yb（nta）2（H2O）]·5H2O and Eight—coordinate Na<b style='color:red'>3</b>[Yb（nta）2]·6H2O complexes](/image/thesis14 "Syntheses and Structural Researches of Yb^<b style='color:red'>3</b>＋ Complexes with Nitrilotriacetic Acids—Nine—coordinate K<b style='color:red'>3</b>[Yb（nta）2（H2O）]·5H2O and Eight—coordinate Na<b style='color:red'>3</b>[Yb（nta）2]·6H2O complexes")
