简介：Theabinitiomolecularorbitalmethodisemployedtostudytheenantioselectivereductionofacetophenonewithboranecatalyzedbythiszolidino[3,4-c]oxazaborolidine.Computationresultshowsthatthecontrollingstepforthereductionisthedecompositionofthecatalyst-alkoxyboraneadductandthereductionleadstoS-alcohols.ThetransitionatateofthehydridetransferfromtheboranemoietytothecarbonylcarbonofacetophenoneisatwistedchairstructurewithaB(2)-N(3)-BBH3-HBH3-CCo-OCO6-memberedring.
简介：Twooxo-vanadium(IV)complexes,[VO(C2O4)(2,2′-bipy)(H2O)]·C2H5OH(1)andVO(C2O4)(phen)(H2O)(2),where2,2′-bipy=2,2′-bipyridyl,phen=1,10-phenanthroline,weresynthesizedaspotentialfunctionalmodelsofvanadiumhaloperoxidases(VHPOs)inmixedsolventofethanolandwateratroomtemperature.Thecomplexeswerecharacterizedbyelementalanalysis,infrared(IR),UV-VisandX-raycrystallography.Structuralanalysesshowedthatvanadiumatomwascoordinatedbyaterminaloxygen,oneoxygenatomfromcoordinatedwater,twooxygenatomsfromthecarboxylategroupofoxalicacid,andtwonitrogenatoms(N1andN2)from2,2′-bipy/phen.Centralvanadiumatomsincomplexes1and2werebothinadistorted-octahedralenvironment,andsomeintermolecularhydrogenbondinglinkageswerealsoobservedineachcomplex.BrominationreactionactivityofthetwocomplexeswasevaluatedwithphenolredasorganicsubstrateinthepresenceofH2O2,Br-andphosphatebuffer,indicatingthattheycanbeconsideredasapotentialfunctionalmodelofVHPO.Inaddition,thermalanalysiswasalsoperformedanddiscussedindetail.
简介：Anovelsupportedliquidphasefilmcatalyst:SupportedPdCl2-(n-C4H9)4N+Cl-moltensaltswasfoundtobeaneffectivecatalystwithgoodstabilityforselectivehydrodechlorinationofCCl2F2(CFC-12)toitsalternativesCH2F2andCHClF2.AdditionofCoCl2,GaCl3andCuCl2toPdCl2-(n-C4H9)4N+Cl-modifiesthecatalyticperformanceofsupportedmoltensalts.
简介：Thetitlecomplexi-C4H9Co（salen）（Py）（Py=pyridine.salen=dianionofdisalicylideneethylenediamine）hasbeenfirstsynthesized.ItscrystalstructurehasbeendeterminedbyX-raydiffractionmethod.ThecrystsisaremonoclinicwithspacegroupP21/C.Theunitcellparametesarepresented.ThestructurehasbeenrefinedtoafinalRof0.038.
简介：FiveC3/C3fluoroquinolonedimerstetheredwithafusedheterocyclicringofs-triazolo[2,1-b][1,3,4]thiadiazolederivedfromantibacterialquinolonesweresynthesizedandcharacterized,andtheirinvitroantitumoractivityagainstL1210,CHOcelllineswasevaluatedviatherespectiveIC50values.
简介：［1］BASFUSP4479906［2］BASFBP1443541［3］BASFDE3618265［4］WangL.,WuZ.,ChinaLeather,26(8),11,(1997)［5］YuanL.,DinY.,ChineseChemistryBulletin,(2),19(1988)［6］KurokiH.,ChemistryofDyeingTheory(ChineseTranslation),TextileIndustryPress,Beijing,89(1982)［7］WangS.,LiP.,WuZ.DyestuffIndustry(Chinese),34(4),1,(1997)［8］Tian,Y.,Wu,Z.,Wang,G.,Zhang,S.J.ChineseChem.Eng.,46,156(1995)［9］Tian,Y.,Wang,G.,Wu,Z.,J.ChineseChem.Eng.,47,75(1996)［10］Lycka,A.,DyesandPigment,32,11(1996)［11］Griffith,J.,ColourandConstitutionofOrganicMolecules,AcademicPress,London,191(1976)
简介：Ionothermalsynthesiswasusedtoprepareanovelaminoacidcontaininghybridzincophosphatemonomer,[Zn(HPO4)(H2PO4)][C6H10N3O2](denotedasZnPO-CJ58).Theinorganicframeworkof[Zn(HPO4)(H2PO4)]·[C6H10N3O2]consistsof4-memberedringsformedbyZnO3OHisandPO2(OH)2tetrahedra.TheHPO4andaminoacidmoietieshangontheZncenter.Suchaframeworkisstabilizedbyextensivemultipointhydrogenbondsinvolvingthephosphateunitsandhistidinemoleculestoformapseudo-3Dsupramolecularstructure.ItisnoteworthythatZnPO-CJ58isthefirstzincphosphateclusterwithaminoacidactingastheligand.Itexhibitsphotoluminescenceexcitedatawavelengthof220nm.Interestingly,ZnPO-CJ58cantransformintoalayeredstructure(C6H10N3O2)Zn2·(HPO4)(PO4)·H2O(ZnPO-CJ36)throughfurtherreactingwithwaterorzincacetatedihydrateinwaterat85℃for1h.Thisworkwillbehelpfulforthesynthesisofcrystallineinorganic-organichybridmaterialswithbiofunctionalmolecules.
简介：Dibromobiphenylreactedwithcynomethylanioninammoniaunderirradiationtoformnucleophilicbis-substitutedproductinhighyieldwithoutsubstantialmonosubstitutedproduct.Quantumyieldsfortheformationsofbis-andmonosubstitutedproductswerefoundtobe85.6and2.3×10-6respectively,whilethecorrespondingpseudo-first-orderrateswere6.9×10-3and5.2×10-10mol.L-1.S-1.Blockupthepossibleelectrontransferof4-brome-4’-cyanomethylbiphenylylradicalanionto4-cyanometbyl-biphenylylradicalandbromineion.
简介：Tris)(η5-cyclopentadienyl-μ-carbonyl-iron)-μ3-nitrosylclusterwasobtainedfromthereactionofcyclopentadienyldicarbonylirondimerwithnitrogenmonoxideinxylene.Theclusterwascharacterizedbyelementalanalyses,IR,MSand1HNMR.Thecrystalstructureof[(η5-C5H5)(μ-CO)Fe]3(μ3-NO).C4H8OwasdeterminedbyX-raydiffractionanalysis.ItcrystallizesintheorthorhombicspacegroupPnma,a=9.053(2),6=10.545(2),c=22.525(4)A,V=2150.3(7)A3,Z=4,Dc=1.68g.cm-3;structuresolutionandrefinementbasedon1141reflectionswithI>3.0(I)(MoKa,A=0.71073A)convergedatR=0.0540.Theinfraredabsorptionbandat1325cm-1oftheμ3-NOinthecluster,whichisredshifted,showsthatμ3-NOisactivated.
简介：DirectC—HfunctionalizationofquinolineN-oxideswitharylboronicacidsisachievedusingKMnO_4asthesoleandefficientoxidativesystem.Thismethodprovidesanefficientprotocoltoconstructregioselectively2-arylquinolineN-oxidesviaradicalcross-couplingreactioninmoderatedtogoodyieldsundermildconditions.
简介：ＩｎｔｒｏｄｕｃｔｉｏｎＴｈｅｒｅｃｅｎｔｄｉｓｃｏｖｅｒｙｏｆａｃｌａｓｓｏｆｃａｒｂｏｎｃｏｎｔａｉｎｉｎｇｍｏｌｅｃｕｌｅｓｋｎｏｗｎａｓｔｈｅｆｕｌｅｒｅｎｅｓｈａｓｐｒｏｄｕｃｅｄａｓｅｒｉｅｓｏｆｍａｔｅｒｉａｌｓｗｉｔｈａｗｉｄｅｒａｎ...
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：Thesynthesisofopen-fiameworkmetalphosphateshasbeenasubjectofintenseresearchowingtotheirinterestingstructuralchemistryandpotentialapplicationsasionexchangers,catalystsandadsorbents.Alargenumberofthesematerialsaresynthesizedinthepresenceoforganicaminesasstructure-directingagents.Recently,manyresearchactivitieshavefocusedonthesynthesisofinorganic-organichybridframeworks.Ascomparedwithinorganicligands,theadvantageofusingorganicmultidentateligandsistheefficacyofrationaldesignofcrystallinesolidsthroughtheircoordinatingpropensitiesandgeometries.
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![Protein surface recognition of the novel tetra-carboxylphenyl calix[<b style='color:red'>4</b>]arene to cytochrome <b style='color:red'>c</b>](/image/thesis1 "Protein surface recognition of the novel tetra-carboxylphenyl calix[<b style='color:red'>4</b>]arene to cytochrome <b style='color:red'>c</b>")
![Crystal Structure and Bioactivity of Complex [Gd（<b style='color:red'>C</b>10H9N2O<b style='color:red'>4</b>）（<b style='color:red'>C</b>10H8N2O<b style='color:red'>4</b>）（H2O）3]2·phen·<b style='color:red'>4</b>H2O](/image/thesis2 "Crystal Structure and Bioactivity of Complex [Gd（<b style='color:red'>C</b>10H9N2O<b style='color:red'>4</b>）（<b style='color:red'>C</b>10H8N2O<b style='color:red'>4</b>）（H2O）3]2·phen·<b style='color:red'>4</b>H2O")
![Ab inito Study on Enantioselective Reduction of Ketones Catalyzed by Thiazolidino[3,<b style='color:red'>4</b>—<b style='color:red'>c</b>]oxazaborolidines](/image/thesis3 "Ab inito Study on Enantioselective Reduction of Ketones Catalyzed by Thiazolidino[3,<b style='color:red'>4</b>—<b style='color:red'>c</b>]oxazaborolidines")
![Vanadium Haloperoxidases Model Compounds： Synthesis, Structural Characterization and Mimic Catalytic Bromination Activity of [VO（<b style='color:red'>C</b>_2O_<b style='color:red'>4</b>）（2,2′-bipy）（H_2O）]·<b style='color:red'>C</b>_2H_5OH and VO（<b style='color:red'>C</b>_2O_<b style='color:red'>4</b>）（phen）（H_2O）](/image/thesis4 "Vanadium Haloperoxidases Model Compounds： Synthesis, Structural Characterization and Mimic Catalytic Bromination Activity of [VO（<b style='color:red'>C</b>_2O_<b style='color:red'>4</b>）（2,2′-bipy）（H_2O）]·<b style='color:red'>C</b>_2H_5OH and VO（<b style='color:red'>C</b>_2O_<b style='color:red'>4</b>）（phen）（H_2O）")
![Synthesis and antitumor evaluation of <b style='color:red'>C</b>3/<b style='color:red'>C</b>3 fluoroquinolone dimers (I): Tethered with a fused heterocyclic s-triazolo[2,1-b][1,3,<b style='color:red'>4</b>]thiadiazole](/image/thesis8 "Synthesis and antitumor evaluation of <b style='color:red'>C</b>3/<b style='color:red'>C</b>3 fluoroquinolone dimers (I): Tethered with a fused heterocyclic s-triazolo[2,1-b][1,3,<b style='color:red'>4</b>]thiadiazole")
![Ionothermal Synthesis and Phase Transformation of Organic-inorganic Hybrid Neutral Zincophosphate Cluster [Zn（HPO<b style='color:red'>4</b>）（H2PO<b style='color:red'>4</b>）][<b style='color:red'>C</b>6H（10）N3O2]](/image/thesis10 "Ionothermal Synthesis and Phase Transformation of Organic-inorganic Hybrid Neutral Zincophosphate Cluster [Zn（HPO<b style='color:red'>4</b>）（H2PO<b style='color:red'>4</b>）][<b style='color:red'>C</b>6H（10）N3O2]")
![Synthesis and characterization of tris（η5-cyclopentadienyl-μ-carbonyliron）-μ3-nitrosyl cluster:X-ray structure of[（η5-<b style='color:red'>C</b>5H5）（μ-CO）Fe]3（μ3-NO）.<b style='color:red'>C</b><b style='color:red'>4</b>H8O](/image/thesis12 "Synthesis and characterization of tris（η5-cyclopentadienyl-μ-carbonyliron）-μ3-nitrosyl cluster:X-ray structure of[（η5-<b style='color:red'>C</b>5H5）（μ-CO）Fe]3（μ3-NO）.<b style='color:red'>C</b><b style='color:red'>4</b>H8O")
![[Co3（1,2-S2<b style='color:red'>C</b>6H<b style='color:red'>4</b>）3（PPh3）3]+, A basic triangle unit of some polynuclear molecules](/image/thesis15 "[Co3（1,2-S2<b style='color:red'>C</b>6H<b style='color:red'>4</b>）3（PPh3）3]+, A basic triangle unit of some polynuclear molecules")
4-alkoxy-2,3,5,6-tetrafluorophenyl)ethynyl]benzoates" title="The synthesis and phase transition of 4’-methylphenyl 4"-[(4-alkoxy-2,3,5,6-tetrafluorophenyl)ethynyl]benzoates">
![Synthesis and Properties of Functionalized Schiff Bases of 5α,10α-Di（<b style='color:red'>4</b>-hydroxylphenyl）calix[<b style='color:red'>4</b>]pyrrole and 5α,15β-Di（<b style='color:red'>4</b>-hydroxylphenyl）calix｜<b style='color:red'>4</b>] pyrrole](/image/thesis17 "Synthesis and Properties of Functionalized Schiff Bases of 5α,10α-Di（<b style='color:red'>4</b>-hydroxylphenyl）calix[<b style='color:red'>4</b>]pyrrole and 5α,15β-Di（<b style='color:red'>4</b>-hydroxylphenyl）calix｜<b style='color:red'>4</b>] pyrrole")
