简介：Anewμ3-Otriiron（Ⅲ）complex[Fe3O（OBz）6（CH3OH）3]（NO3）（CH3OH）2（HOBZ=benzoicacid）hasbeensynthesized,itsstructurehasbeendeterminedandvariabletemperaturemagneticsusceptilityhasalsobeenmeasured.Inthemolecule,threeironatomsformedanequilateraltrianglewithu3-Oincenter.ThefittingtothemagneticsusceptibilityshowedthatanintramolecularantiferromagneticexchangeinteractionoccurredbetweenironatomswithJ=-25.51cm-1,andaweakerintermolecularantiferromagneticexchangeinteractionoccurredwithzJ’=-2.30cm-1.
简介：ThecrystalstructureofDi-nitratobis（ethylcaprolactam）uranyl（Ⅱ）UO2[CH2（CH2）4CONC2H5]2（NO3）2wasestablishedbyasingle-crystalX-raydiffractionstudy.Itistriclinie,spacegroupP1,witha=7.171（2）,b=8.655（3）,c=10.182（5）A,α=78.27（3）,β=70.63（3）,γ=81.76（3）°,V=581.7（4）A3,Z=l,Dc=1.94g.cm-3.FinalRvalueis0.0218.Theresultrevealsthaturanylioniscoordinatedtosixoxygenatoms,twoofthemarefromtwocarbonylgroupsofethylcaprolactamandtheotherfourarefromtwonitrategroups.
简介：[Co3(1,2-S2C6H4)3(PPh3)3][CoBr3(DMF)].sol(1,sol=CHCl3,O(C2H5)2,H2O)wasobtainedfromthereactionofCoBr(PPh3)3withNa2(S2C6H4)inchloroform.TheCo3coreinthecationof1exhibitsametal-metalbondedisoscelestriangle,inwhichthetwolongerCo-CobondsarebothbridgedbyS2C6H4ligandsontwosidesofthetriangleplanerespectively,whilethebottomshortCo-CobondisbridgedbythethirdbidentateS2C6H4ligand.Aseriesofpolynu-clearcobaltclustercompoundswithphosphine,thiolateand/orsulphurligandswerepreparedbylowoxidationstateCo+withthiolatesinorganicsolvents.Thesetri-,tetra-,hexa-,heptanuclearclustercompounds1-8withvarioustypesofcrystalstructurescanbeviewedasthecondensedpolynuclearcobaltcomplexesthatthecobaltatomframeworkswithsulphurbridgedwerebuiltthroughthesmalltriangularunitsof[Co3S3nL3](n=1,2)withorwithout[CoL](L=PR3,Br,Cl,5-C5H5)fragments.
简介：ＥＬＥＣＴＲＯＮ ＴＲＡＮＳＦＥＲ ＢＥＴＷＥＥＮ Ｅｕ３＋ ＡＮＤ Ｃｅ３＋ ＩＮ ＳｒＭｇＦ４ ＭＡＴＲＩＸＥＬＥＣＴＲＯＮＴＲＡＮＳＦＥＲＢＥＴＷＥＥＮＥｕ３＋ＡＮＤＣｅ３＋ＩＮＳｒＭｇＦ４ＭＡＴＲＩＸ￥ＹｉｎｇＷＵ；Ｃｈ...
简介：Copolymerizationofstyrene(St)andisoprene(IP)wascarriedoutwithacatalystsystemcomposeaofanhydrouslanthanidechloridehexamethylphosphoramidecomplex(LnCl3·HMPA)andaluminumorganiccompound(AOC).Amongthecatalystsexamined,catalystNdCl3·HMPA/AI(i-Bu)3showedahighactivityinthecopolymerizationundercertainconditionsgivingcopolymers(5%—15%Stcontent)withhighcis-1,4microstructureinIPunits(>95%).TheeffectsofHMPA/Ndmolarratio,Al/Ndmolarratio,monomer/Ndmolarratio,Stfeedratio,andthereactiontimeoncopolymerizationwereexaminedwiththiscatalyticsystem.Theobtainedcopolymerswerecharacterizedby^1Hand^13CNMRspectroscopiesandgel-permeationchromatography(GPC).
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.
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：采用直接动力学的方法，对多通道反应体系Br＋CH3S（O）CH3进行了理论研究．在BH＆H-LYP／6-311G（2d，2p）水平下获得了优化几何构型、频率及最小能量路径（MEP），能量信息的进一步确认在MC-QCISD（单点）水平下完成．利用正则变分过渡态理论，结合小曲率隧道效应校正（CVT／SCT）方法计算了该反应的两个可行的反应通道在200K～2000K温度范围内的速率常数．在整个反应区间内，生成HBr的反应通道与生成CHa的反应通道存在着竞争，前者是主反应通道，后者是次反应通道．变分效应和小曲率隧道效应对反应速率常数的计算影响都很小．理论计算得到的两个反应通道的反应速率常数与实验值符合得很好．
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.
简介：Erbium,Ytterbium-codopedZrO2nanoparticles(ZrO2∶Er3+,Yb3+)werepreparedbythesol-emulsion-geltechnique.Thepurposeofthepresentstudyistheapplicationofupconversionphosphorinthebiologicallabel.Inordertomakeoutthemechanismofupconversionunder980nmexcitationthe488nmpumpwasused.Theinfluenceoftemperatureonthecrystallitephasewasstudied.TheresultsconfirmtheupconvertedmechanisminZrO2∶Er3+,Yb3+nanocrystalsisduetoanenergytransferupconversion(ETU).
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.
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.
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.
简介：ＲＥＡＣＴＩＯＮＯＦ ３，７－ＤＩＮＩＴＲＯＤＩＢＥＮＺＯＢＲＯＭＯＬＩＵＭＢＩＳＵＬＦＡＴＥＷＩＴＨＳＯＭＥ ＮＵＣＬＥＯＰＨＩＬＥＳＺｉＪｉｅＨＯＵ；ＨｕｅｉＺＨＡＮＧａｎｄＺｉａｎＨｕａＺＨＡＮＧ（ＩｎｓｔｉｔｕｔｅｏｆＯｒｇａｎｉｃＣｈｅｍｉ...
简介：Theenzymaticresolutionofracemicmethyl3-phenylglycidatewasinvestigated.Itwasfoundthatthehydrolysisrateof(2S,3R)-enantiomerwasfasterthanthatof(2R,3S)-enantiomerbyanewlipase.Atoptimalcondition96%of(2R,3S)-methylphenylglycidatewitheeof100%wasrecoveredfromtheracemicmixture.
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![The structure and magnetic properties of μ<b style='color:red'>3</b>-oxotriiron（Ⅲ） complex [Fe<b style='color:red'>3</b>O（OBz）6（CH<b style='color:red'>3</b>OH）<b style='color:red'>3</b>]（<b style='color:red'>NO3</b>）（CH<b style='color:red'>3</b>OH）2](/image/thesis0 "The structure and magnetic properties of μ<b style='color:red'>3</b>-oxotriiron（Ⅲ） complex [Fe<b style='color:red'>3</b>O（OBz）6（CH<b style='color:red'>3</b>OH）<b style='color:red'>3</b>]（<b style='color:red'>NO3</b>）（CH<b style='color:red'>3</b>OH）2")
![CRYSTAL STRUCTURE OF DI - NITRATOBIS（ETHYLCAPROLACTAM）URANYL（Ⅱ） UO2[CH2（CH2）4CONC2H5]2（<b style='color:red'>NO3</b>）2](/image/thesis1 "CRYSTAL STRUCTURE OF DI - NITRATOBIS（ETHYLCAPROLACTAM）URANYL（Ⅱ） UO2[CH2（CH2）4CONC2H5]2（<b style='color:red'>NO3</b>）2")
![[Co<b style='color:red'>3</b>（1,2-S2C6H4）<b style='color:red'>3</b>（PPh<b style='color:red'>3</b>）<b style='color:red'>3</b>]+, A basic triangle unit of some polynuclear molecules](/image/thesis2 "[Co<b style='color:red'>3</b>（1,2-S2C6H4）<b style='color:red'>3</b>（PPh<b style='color:red'>3</b>）<b style='color:red'>3</b>]+, A basic triangle unit of some polynuclear molecules")
![A Novel Asymmetric Synthesis of （-）-cis-1, <b style='color:red'>3</b>-Dibenzylhexahydrofuro[<b style='color:red'>3</b>, 4-d]imidazole-2,4-dione](/image/thesis13 "A Novel Asymmetric Synthesis of （-）-cis-1, <b style='color:red'>3</b>-Dibenzylhexahydrofuro[<b style='color:red'>3</b>, 4-d]imidazole-2,4-dione")
![Preparation and Crystal Structure of <b style='color:red'>3</b>-（2-Hydroxyphenyl） -6- （4-nitrophenyl）-7H- 1,2,4-triazolo[<b style='color:red'>3</b>,4-b][1, <b style='color:red'>3</b>,4]thiadiazine](/image/thesis14 "Preparation and Crystal Structure of <b style='color:red'>3</b>-（2-Hydroxyphenyl） -6- （4-nitrophenyl）-7H- 1,2,4-triazolo[<b style='color:red'>3</b>,4-b][1, <b style='color:red'>3</b>,4]thiadiazine")
![Synthesis and crystal structure of [Co（mpt）2{P（OCH<b style='color:red'>3</b>）<b style='color:red'>3</b>}2]BF4 （Hmpt = 2-mercaptothiazoline）](/image/thesis15 "Synthesis and crystal structure of [Co（mpt）2{P（OCH<b style='color:red'>3</b>）<b style='color:red'>3</b>}2]BF4 （Hmpt = 2-mercaptothiazoline）")
