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：TheelectrooxidationofBilirubin（BR）inN,N’-dimethylformamide（DMF）andDMF+H2Omixedsolventisinvestigatedbyvoltammetrytechniques,insiturapidscanthinlayerspectroelectrochemistryandinsituESRspectroscopy.ThedatarevealthattheoxidationprocessofBRundergoesmanystages,whichareallspedupbytheintroductionofwater.ThespeciesofbilirubintakingpartinthereactionisfoundtobechangedfromBRinDMFintoBR’inthemixedsolventsandtheanodicpeakpotentialisshiftedcorrespondinglyfrom+0.58Vto+0.026-+0.35V（vs.Ag/AgCl,1.0MKCl）.Freeradicalsandthedimerizationofthemareobservedduringtheoxidation.
简介：Theorientationalorderoftwoliquidcrystals,namely,6-［4-(4-nitrophenylazo)phenyloxy］hexyldiethanolamines(C6)and10-1-bromo［4-(nitrophenylazo)phenyloxy］alkane(B10)wasstudiedbymeansof2HNMRspectroscopywithhexamethylbenzene-d18astheprobemolecule.TheresultsshowthatthedirectorsinthesmecticAphaseofC6andthenematicphaseofB10couldbealigned,whichwasparalleltothemagneticfield.TheorientationalorderparameterofthesolutemoleculesinC6wasabout0.2,whileitisonly0.1inB10,whichisexpectedbecausethemoreorderedsmecticphasetendstoalignsolutemoleculestoahighlevel.ComparedtotheorientationalorderparameterofthesoluteintheSmCphaseof4［3,4,5-tris(4-dodecyloxybenzyloxy)-benzoyloxy］-4-(4′-dodecyloxybenzoyloxy)biphenyl(Ⅰ)(P2=0.14),itislargerinSmAphaseofC6.TherelativelyhigherorientationalorderparameterofthesoluteinC6isattributedtotheformationofintermolecularH-bondsintheSmAphaseofC6.
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：含有ONO给体原子的N-邻甲氧基苯甲酰基水杨酰肼配体与[VO(acac)2]在乙醇中反应得到钒(V)酰配合物VO[(C15H12N2O4)(OC2H5)].标题化合物晶体属三斜晶系,空间群Pī,晶胞参数:a＝0.89411(5)nm,b＝1.0063(2)nm,c＝1.0392(2)nm,α＝110.171(7)°,β＝95.219(3)°,γ＝93.822(2)°;V＝0.8692(2)nm3,Z＝2,R1＝0.0513,wR＝0.1532.研究结果表明:钒原子具有扭曲的四方锥配位构型,钒酰氧原子处在锥顶位置,配体的3个给体原子与溶剂分子形成锥底平面.
简介：利用水热方法制备了一个新的过渡金属镉配合物[Cd（1，3-BDC）（L）（H2O）2]·H2O（1，3-H2BDC=间苯二甲酸，L=2-（3-吡啶基）-1H-苯并咪唑），并通过元素分析、红外光谱和X-射线单晶衍射方法确定了该配合物的晶体结构．结构分析表明该配合物属于单斜晶系，P21／c空间群，晶胞参数a=1．01641（6）nm，b=2．08842（12）nm，C=1．00l38（6）nm，β=106．3360（10）°，V=2．0398（2）nm3，Z=4，R1=0．0207，wR2=0．494．配合物中CdⅡ“离子与L配体的1个吡啶N原子、1，3-BDC的4个氧原子和2个配位水的O原子配位，形成七配位的扭曲十面体结构．配体1，3-BDC的桥连相邻的CdⅡ离子形成一维聚合物链，相邻链间通过氢键和π…π作用形成三维超分子网络，并对该配合物的热稳定性和荧光性质进行了研究．
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：Poly(azureblueⅡ)(PABⅡ)thinfilmmodifiedelectrodewassuccessfullyassembledonthesurfaceofaglassycarbonelec-tradebymeansofelectrochemicalpolymerization,whichwascarriedoutwithcyclicvoltammetricsweepinginthepotentialrangeof-0.6to+1.3V(vs.SCE)inBritton-Robinsonbuffersolution(pH=9.8)containing1.25x10^-4mol/LazureblueⅡ.TheeffectofpHonthepolymerizationprocessofazureblueⅡandthedeetrochemicalcharacteristicsofthepolymer-modifiedelectrodeswerestudiedindetail.Theexperimentalre-suitsindicatedthattheelectropolymerizatiouofazureblueⅡcouldtakeplaceinbasicorneutralmedia.Thecyclicvoltam-mogramsofpoly(azureblueⅡ)thinfilmmodifiedelectrodeshowedthepresenceoftwocouplesofredoxpeaks.Thefilmmodifiedelectrodeexhibitedpotentandpersistentelectrocataly-sisforoxidationofdihydronicotiamideadeninedinucleotide(NADH)inphosphatebuffermediawithadiminutionoftheoverpotentialofabout410mVandanincreaseinpeakcurrent.ThepresenceofsomedivalentcationsinanelectrolytecangreatlyenhancetheeleetrocotolyficcurrentforoxidationofNADH.TheeleetrocatalyticcurrentincreasedlinearlywithNADHconcentrationfrom1.0×10^-5to8.0×10^-3mol/Linthepresenceof4.0×10^-2mol/LMg^2+cation.Thedetectionlimit(3Sb1/S)WaS5.0×10^-6mol/L,andtherelativestandarddeviationofdeterminationresultswas4.2%forsixsuccessivedeterminationsof5.0×10^-4mol/LNADHinthepresenceofMg^2+cation.
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：利用水热法首次合成了具有两种配位环境Cd原子的新型杂多蓝化合物[NH3（CH2）2NH3]5[Cd（H2O）][CdMo12^vO30（HPO4）6（H2PO4）2]·5H2O．通过元素分析、ICP、TG和X射线单晶衍射确定了其组成，使用IR和EPR进行了结构表征．通过N2吸附脱附测定了比表面积和孔径，为催化研究提供了基础数据．结果表明：该晶体为三斜晶系，P-1，空间群；晶胞参数a=1．2002（2）nm，b=1．4651（3）nm，c=2．1192（4）nm，V=3．5642（12）nm^3，p=83．01（3）°，Z=2，F（000）=2932，R1=0．0300，wR2=0．0716．
简介：The2-Dheteronuclearcoordinationpolymer{[Ag4Fe2(SCN)12(H2O)2][(inaH)2(H2O)2]}n(1)(inaHistheabbreviationofprotonatedisonicotinicacid)withchemicalformulaC24H20Ag4Fe2N14O8S12hasbeensynthesizedandcharacterizedbysinglecrystalX-raydiffraction,elementalanalysisandIRspectroscopy.TheAgES2ringsconnecttwokindsofoctahedralgeometriesofFe(Ⅲ)ions,[Fe(NCS)6]^3-and[Fe(H2O)E(NCS)4]^-unitswithbridgingthiocyanateionsleadingto2-D[Ag4Fe2(SCN)12(H2O)2]^2-anionframework.Fourkindsofringsincludingtheunprecedentedthirty-twomemberedAg4Fe4(SCN)8ringssharecomersoredgesinthe2-Danionlayerstructure.AllthiocyanatescoordinatetothemetalionsaccordingtotheHSABprinciplewithNatomsbindingtotheFe(Ⅲ)ionsandwithSatomsbindingtoAg(I)ions.Pronoatedinacationsstabilizethelayerstructureascounterionsandhydrogenbondswereformedwithinthepronoatedinacationsdimerandbetweenthedimersandthelatticewaters.Crystaldata:Mr=1560.44,triclinic,P-↑1,a=0.76082(1)nm,b=0.9234nm,c=1.85611(4)nm,α=103.0170(10)°,β=93.7780(10)°,γ=97.4080(10)°,V=1.25385(3)nm^3,Z=1,μ(MoKα)=2.650mm^-1,Dc=2.067g·cm^-3,F(000)=758,R1=0.0412,wR2=0.1003.
简介：Arylhalidesareakindofextremelyvaluablecompoundsusedintransition-metal-catalyzedcouplingreactions,aswellasimportantstructuremotifsinmanynaturalproductsandmanufactureddrugs[1,2].Theclassicalapproachforpreparationofhaloarenesiselectrophilicaromaticsubstitution(EAS)usingvarioushalogenatingreagentsoroxidativehalogenationswithhalogenatingreagentgeneratedinsitufromhalidesandoxidants,suchasperoxide,oxygenandmeta-cholorperoxybenzoicacid(mCPBA)[3,4].However,harshreactionconditionsarerequiredforhalogenationoflessactivearomatics.orthoMetalationfollowedbyhalogenquenchingisanotherapproachforhalogenationofaromatics[5].However,thereareobviousdrawbacksforthesemethods,suchaslowregioselectivity,harshconditionsandevendangerousprocedures.Therefore,thedevelopmentofanalternativeandpracticalwayremainschallengeinorganicsynthesis.
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![Syntheses and Structural Researches of Yb^3＋ Complexes with Nitrilotriacetic Acids—Nine—coordinate K3[Yb（nta）2（<b style='color:red'>H</b>2O）]·5<b style='color:red'>H</b>2O and Eight—coordinate Na3[Yb（nta）2]·6<b style='color:red'>H</b>2O complexes](/image/thesis0 "Syntheses and Structural Researches of Yb^3＋ Complexes with Nitrilotriacetic Acids—Nine—coordinate K3[Yb（nta）2（<b style='color:red'>H</b>2O）]·5<b style='color:red'>H</b>2O and Eight—coordinate Na3[Yb（nta）2]·6<b style='color:red'>H</b>2O complexes")
![K8[ZnMg（<b style='color:red'>H</b>2O）W11O39]·15<b style='color:red'>H</b>2O的合成、表征及化学热扩渗](/image/thesis3 "K8[ZnMg（<b style='color:red'>H</b>2O）W11O39]·15<b style='color:red'>H</b>2O的合成、表征及化学热扩渗")
![Vanadium Haloperoxidases Model Compounds： Synthesis, Structural Characterization and Mimic Catalytic Bromination Activity of [VO（C_2O_4）（2,2′-bipy）（<b style='color:red'>H</b>_2O）]·C_2<b style='color:red'>H</b>_5OH and VO（C_2O_4）（phen）（<b style='color:red'>H</b>_2O）](/image/thesis4 "Vanadium Haloperoxidases Model Compounds： Synthesis, Structural Characterization and Mimic Catalytic Bromination Activity of [VO（C_2O_4）（2,2′-bipy）（<b style='color:red'>H</b>_2O）]·C_2<b style='color:red'>H</b>_5OH and VO（C_2O_4）（phen）（<b style='color:red'>H</b>_2O）")
![配合物VO[（C15<b style='color:red'>H</b>12N2O4）（OC2<b style='color:red'>H</b>5）]的合成晶体结构和氧化还原性质](/image/thesis5 "配合物VO[（C15<b style='color:red'>H</b>12N2O4）（OC2<b style='color:red'>H</b>5）]的合成晶体结构和氧化还原性质")
![配合物[Cd（1，3-BDC）（L）（<b style='color:red'>H</b>2O）2]·<b style='color:red'>H</b>2O的水热合成、晶体结构和荧光性质](/image/thesis6 "配合物[Cd（1，3-BDC）（L）（<b style='color:red'>H</b>2O）2]·<b style='color:red'>H</b>2O的水热合成、晶体结构和荧光性质")
![Ionothermal Synthesis and Phase Transformation of Organic-inorganic Hybrid Neutral Zincophosphate Cluster [Zn（HPO4）（<b style='color:red'>H</b>2PO4）][C6<b style='color:red'>H</b>（10）N3O2]](/image/thesis16 "Ionothermal Synthesis and Phase Transformation of Organic-inorganic Hybrid Neutral Zincophosphate Cluster [Zn（HPO4）（<b style='color:red'>H</b>2PO4）][C6<b style='color:red'>H</b>（10）N3O2]")
![新型杂多蓝化合物[NH3（CH2）2NH3]5[Cd（<b style='color:red'>H</b>2O）][CdMo12^VO30（HPO4）6（<b style='color:red'>H</b>2PO4）2]·5<b style='color:red'>H</b>2O的合成与晶体结构](/image/thesis17 "新型杂多蓝化合物[NH3（CH2）2NH3]5[Cd（<b style='color:red'>H</b>2O）][CdMo12^VO30（HPO4）6（<b style='color:red'>H</b>2PO4）2]·5<b style='color:red'>H</b>2O的合成与晶体结构")
![Synthesis and Crystal Structure of a Two-dimensional Silver（Ⅰ）-Iron（Ⅲ） Heteronuclear Coordination Polymer： {[Ag4Fe2（SCN）12（<b style='color:red'>H</b>2O）2] [（inaH）2（<b style='color:red'>H</b>2O）2]}n](/image/thesis18 "Synthesis and Crystal Structure of a Two-dimensional Silver（Ⅰ）-Iron（Ⅲ） Heteronuclear Coordination Polymer： {[Ag4Fe2（SCN）12（<b style='color:red'>H</b>2O）2] [（inaH）2（<b style='color:red'>H</b>2O）2]}n")
