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:选用新颖的有机配体3-噻吩-5-三氟甲基-2,3-二氢-1-H吡唑(L),在水热条件下成功得到2个新的基于Keggin多酸的超分子化合物,{[Ag(L)_2]_3[PMo_(12)O_(40)]}·3H_2O(1)和{[Ag(L)_2]_3[HSiMo_(12)O_(40)]}·3H_2O(2).通过红外光谱、元素分析和单晶X-射线对化合物1和2的结构进行了表征.化合物1和2同构,包含1个孤立的Keggin多阴离子和3个金属-有机亚单元[Ag(L)2]+.其中多酸阴离子和[Ag(L)2]+片段通过氢键作用力交替连接形成1个一维超分子链.相邻一维链进一步通过氢键连接成二维超分子层状结构.光催化和电化学性质表明,化合物1和2具有相同的电化学性能.
简介:Inanattempttofindnewantitumoragents,anovelclassofchromonecompoundswithabenzimidazoleorabenzoxazoleringinpositions2or6weresynthesizedviacondensationinpolyphosphoricacid(PPA)byusingchromoneacidsasthestartingmaterials.Duringthepreparationprocess,itwasfoundthatPPAcouldcleavethechromoneringtoproducearing-openingcompound(6).Themolarratioofthechromonecompound(5)tothering-openingcompound(6)variedwiththechangeofreactiontemperatureandtime.BasedonMTTprotocol,theantitumoractivityofeachofthecompoundsobtainedwasevaluatedagainstthreehumancancercelllines:KB(oralepidermal),A2780(ovary)andBel7402(liver).TheIC50variedfrom54.7μmol/Ltomorethan180μmol/L.
简介:Thesolvent-freemechanochemicalreactionandtheliquid-phasereactionofC60withethyl2-diazopropionatepreparedinsituorpreformedfromalanineethylesterhydrochlorideandsodiumnitritehavebeeninvestigated.Methanofullerene1andfulleroids2and3fromthesereactionswereobtained,meanwhilethepyrazolineintermediatewasnotobserved.Fulleroids2and3canbeconvertedtomethanofullerene1inrefluxingtoluene.
简介:Asasuccessiveworkofourpreviouspaper,^1theelectrontransfermatrixelement(Vrp)intheoxidationofthesimplifiedmodelmoleculeofα-aminocarbon-centeredradicalbyO2hasbeeninvestigatedwithabinitiocalculationatthelevelofUHF/6-31G**.Basedontheoptimizedgeometriesofthereactgantandtheion-paircomplexobtainedpreviously,thereactionheatandtheiunerreorganizationenergyhavebeenobtainedbyconstructingthepotentialenergycurvesofreactantandproductstatesconsideringthesolventeffectwiththeconductor-likescreeningmodel(COSMO).ThesolventreorganizationenergyhasbeenestimatedusingLippert-Matagarelationship.ThecalculatedresultsshowthatthevalueofVrpisseveraltimeslargerthanthatofRT,whichmeansthatthemodelreactionisanadiabaticone.Theoreticalinvestigationindicatesthatthesolventeffectonthedirectelectrontransfer(ET)processofoxidationofα-aminocarbon-centeredradicalbyoxygenisremarkable.
简介:Aseriesofchiralandachiralbis(2-oxazolinylphenolato)nickel(Ⅱ)complexes2weresynthesizedbyreactionsofvarious2-(4,5-dihydro-2-oxazolyl)phenolderivativeswithnickelchloridehexahydrate.Themolecularstructureofcomplex2awasdeterminedbyX-raysinglecrystaldiffraction.Thecrystalofcomplex2awasmonoclinic,spacegroupP21withcelldimensionofa=1.1121(4)nm,b=0.9472(3)nm,c=1.4113(5)nm,a=γ=90°,β=91.450(6)°,V=1.4861(8)nm^3,Z=2,andμ=0.693mm^-1.Inthesolidstate,thenickel(Ⅱ)ionwasinasquare-planarcoordinationgeometry.Thecatalyticactivitiesofcomplexes2inBaeyer-Villigerreactionwithmolecularoxygenwereinvestigated.
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简介:Fe2O3solwiththeparticlediameterof3-5nmwasflocculatedbytheadditionofSDS,andtheflocculateformedwasredispersedbythefurtheradditionofthatsurfactant.ThusthesurfactantbilayerwasformedonthesurfaceofFe2O3.Theemulsionpolymerizationofstyrene(St)adsolubilizedonthesurfactantadsorbedbilayerwascarriedoutbyinitiatorpotassiumpersulfate(KPS).TheUV-Visandsurfacephotovoltagespectra(SPS)indicatethattheFe2O3particleswereencapsulatedinpolystyrene(PSt)successfully.
简介:Thispaperreportstwolanthanidecomplexesofformula(C9H7)Ln(C8H8)·(THF)2whereLnisProrNd,C9H7isindenyl,andC8H8iscyclooctatetraene(COT).ThecomplexeswerepreparedbythereactionofLnCl3withK(C9H7)andK2(C8H8)inTHF.(C9H7)Pr(C8H8)·(THF)2crystallizesinTHFat-15℃inthemonoclinicspacegroupP21:withunitcelldimensionsa=8.446(0),b=10.083(2),c=13.407(3),β=105.48(1)°,V=1100.43(35)3,Dc=1.52g/cm3andZ=2.ThefinalRvalueis0.033,Rwvalueis0.030,respectively.In(C9H7)Pr(C8H8)·(THF)2afive-memberedringcentroidofC9H7,theC8H8ringcentroidandthetwooxygenatomsfromthetwoTHFmoleculesformadistortedtetrahedralgeometryaroundthemetal.
简介:8,8′-Dibromo-6,6′,7,7′-tetramethoxy-5,5′-diisopropyl-3,3′-oxydimethylenedinaphtho[2,1-b:2′,1′-d]furan,C32H30Br2O;M.W.=670;triclinic;spacegroupP1;a=8.896(2),b=10.216(1),c=10.423(1)A,α=108.48(1),β=119.36(1),γ=99.26(1);V=723.5A3;Z=1,Dcal.=1.479g.cm-3.MoKα=28.11cm-1,F(000)=326,T=293K.Thestructurewassolvedbydirectmethodandfull-matrixleast-squaresrefinementconvergedatR=0.034for2377observedreflections.Theoxygenatominseven-memberedringexistsinadisorderedarrangement.Bothbisnaphthaleneandoxygen-containingfive-memberedringhaveplanarconformationswithdihedralangle6°,showingmarkedaromaticfeature.
简介:Thetetranuclearalkyltin(Ⅳ)compounds{[R2Sn(C9H8N3O3)O]SnR3}2[R=n-Bu(1),4-CNC6H4CH2(2),C6H5CH2(3),4-ClC6H4CH2(4)]werepreparedbythereactionofSchiffbaseligandpyruvicacidisonicotinylhydrazonewith(R3Sn)2Ointhecorrespondingmolarratioof1:1.Allcompoundshavebeencharacterizedbyelementalanalysis,IRand^1HNMRspectra.Thecrystalstructureofcompound1wasdeterminedbyX-raysinglecrystaldiffractionalanalysis.Thiscompoundexhibitsadimericstructurecontainingdistannoxaneunitswithtwotypesofthetinatoms.Forthefirsttinatom,itappearstobeseven-coordinatedwithadistortedpentagonalbipyramidgeometry,andtheotherisfive-coordinatedwithadistortedtrigonalbipyramidalgeometry.Themoleculesarepackedintheunitcellintwo-dimensionalnetworkstructurethroughaninteractionbetweentheNatomsofthepyridineandthetinatomsofanadjacentmolecule.