简介：Aseriesofcopper(Ⅱ)complexeswithpyridineN-oxide-2-ylmethylidened-ithiocarbazatesasligandsweresynthesizedandcharacterizedbyIRspectra,electronicspectraandmagneticmomentsmeasurementatroomtemperature.Variabletemperaturemagneticsusceptibilites(3-300K)offourcomplexsweremeasuredandfittedwiththeBleaney-Bowersdimerequationbyconsideringthemagneticinteractionbetweenmolecules.Thefittingresultsshowtheexistenceofintramolecularferromagneticinteractionsandintermolecu-laranti-ferromagneticinteractionsinthesecopper(Ⅱ)complexes.
简介：ＳＹＮＴＨＥＳＩＳＯＦ３－ＡＲＹＬ－１（２Ｈ，４Ｈ）ＡＣＲＩＤＯＮＥＳＡＮＤＴＨＥＩＲＤＥＲＩＶＡＴＩＶＥＳ￥ＲｏｎｇＹＩＮ；ＧｕａｎｇＦａｎＨＡＮ；ＹｕＴｉａｎＬＩ（ＤｅｐａｒｔｍｅｎｔｏｆＭｅｄｉｃａｌＬａｂｏｒａｔｏｒｙ，ＪｉｌｉｎＭｅｄｉｅａ...
简介：Theimportantintermediateforsynthesesofvariousanti-HIVnucleosideanalogues,methyl2,3-dideoxy-3-fluoro-6-O-(p-methylbenzoyl)-a-D-ribofuranoside,wassynthesizedstartingfrom2-deoxy-D-ribosein5stepswithanoverallyieldof24%.Thisstrategycanbealsousedforsynthesizingotheranalogueswithvarioussubstitutionsat3-Cposition.
简介：利用密度泛函理论（DensityFunctionalTheory）中的B3LYP方法在6-311＋G（d,p）的计算水平上研究了Fe/Fe_2与NO反应的相关微观机理.全参数优化了Fe＋NO和Fe_2＋NO反应体系在不同重态反应势能面上各驻点的几何结构,并用频率分析法以及内禀反应坐标（IntrinsicReactionCoordinate）方法对过渡态进行了验证,得到了相对应的反应的微观反应路径.用＂两态反应＂分析反应机理,计算结果表明2个体系的优先选择路径均为低自旋态进入和高自旋态离开反应.通过对2个体系反应活化能的比较,Fe_2＋NO体系更易进行.
简介：Li0.33MnO2cathodematerialwassynthesizedbysolidstatereaction.Thematerialshowedasmallcoherentdomainsizeabout10nmdeterminedbyX-raydiffractionandtransmissionelectronmicroscopy.Theelectrochemicalpropertiesofthematerialwerestudiedindifferentpotentialwindowsof3.5―2.0Vand4.3―2.0V.Anirreversibletransformationtospinelphasewasobservedintheinitialseveralcycles,whichwasmoreprominentoncyclingat4.3―2.0V.ElectrochemicalimpedancespectroscopyshowedthattheLi+diffusioncoefficientofthematerialwasabout2×10–9cm2/s.Li0.33MnO2showedareversibledischargecapacityof140and200mA·h/ginthepotentialwindowsof3.5―2.0Vand4.3―2.0V,respectively.Butthecapacityretentionat4.3―2.0Vwaspoorduetothethickerspinellayerformedonthematerialsurface.
简介：Thetitlecompounds6a—6fwerepreparedwithhighyieldviaintramolecularWittigreactionofmethyl3-perfluoroalkyl-6-perfluoroacyl-2-triphenylphosphoranylidenehex-3,5-dienoates(5a—5i)whichwereobtainedfromthereacitonof3-perfluoroacylprop-2-enylidenetriphenylphos-phoranes(3a—3c)withmethylperfluoroalkynoates(4a—4c).
简介：ＳＹＮＴＨＥＳＩＳ ＡＮＤ ＳＰＥＣＴＲＡ ＳＴＵＤＩＥＳ ＯＦ ＴＲＡＮＳＩＴＩＯＮ ＭＥＴＡＬ ＣＯＭＰＬＥＸＥＳ ＤＥＲＩＶＥＤ ＦＲＯＭ ２， ４－ＤＩＮＩＴＲＯＰＨＥＮＹＬ ＨＹＤＲＡＺＩＮＥＳＹＮＴＨＥＳＩＳＡＮＤＳＰＥＣＴＲＡＳＴＵＤＩ...
简介：AnAu/ceria(0.44%,massfraction)catalystcontaininggoldionswaspreparedbyamodifieddepositionprecipitationmethod,andtheevolutionofgoldionsinthecatalystanditsinfluenceonthecatalysisofCOoxidationwereinvestigated.Itwasfoundthattheas-preparedcatalystcontaininggoldionswithhighvalencecouldfullyoxidizeCOat–10°CinitiallybutwasdeactivatedgraduallyatlowtemperaturesduringthereactionwithCOortreatmentbyunpurifiedair.ThedeactivationofthecatalystduringCOoxidationortreatmentofitbyunpurifiedairwasindependentandprogressiveatlowtemperatureswhiletheactivityofthecatalystatrelativelyhightemperatureswasmaintainedwell.DuringthereactionwithCOortreatmentbyunpurifiedair,theXPSresultsindicatethatgoldspeciesevolvedfromhighvalencetolowvalenceandthediffusereflectanceUV-Visspectrashowthathighvalencegoldwasreducedtochargedgoldclusters,goldclustersgrewtosmallgoldcrystalsandsmallgoldcrystalsgrewtolargegoldparticles.Accordingly,thehighvalencegoldcorrespondedtotheactivityatlowtemperaturesandthemetallicgoldwasactiveandrelativelystableathightemperatures.Theturnoverfrequencies(TOF)ofthecatalyststreatedbydifferentmethodsat273Kdecreasedwiththeevolutionofgoldspeciesfromhighvalencetolowvalence,nomaximumofTOFwasobservedalthoughgoldparticlesinthecatalystattainedtoabout2―3nmduringthetreatment.AnAu/ceriacatalystwithagoldloadof0.87%(massfraction)maintainedagoodactivityforCOoxidationwithin18hatroomtemperature.Thecatalystswerecharacterizedviatransmittedelectronicmicroscopy(TEM),inductivelycoupledplasmaopticalemissionspectrometry(ICP-OES),X-raydiffraction(XRD)andBETspecificsurfaceareaandUV-VisDRSaswell.
简介：Luminescentcoordinationcompoundswithnitrogen-containingligandshaveattractedmuchattentionduetotheirgoodperformanceinsensorandelectroluminescentdevicetechniques[1-17].Todevelopnewluminescentmaterials,alargenumberofd10metalcomplexes,especiallyzinccomplexes,withthenitrogen-containingligandshavebeensynthesizedandtheirluminescencebehaviourhavebeenstudied[1-11].Ithasbeenfoundthatforagivencomplex,thesizeoftheπ-conjugatedsystemoftheligandandtheelectroniceffectofsubstituentsattheligandareimportantfactorsformodulatingitsluminescentproperties[5,8,9].
简介：TwoseriesofterritremBanalogues(10a-10cand18)havebeendesignedandsynthesizedfromjujubogenin5awhichwaspreparedfromjujubogeninglycosides5bobtainedfromtheleavesofZizyphusjujuba.Thestructuresofthenewcompoundswereconfirmedby1H-,13C-NMRandMSdata.Compounds10cand18showedweakinhibitoryeffectonAChEat10^-4mol/E.
简介：利用Gaussian03软件包,采用多种方法和多种基组对CCl和CCl2分子的基态结构进行优化计算,优选出B3P86/6-311＋G（3df）方法对CCl分子进行计算得到基态为X2Π、键长RCCl=0.16442nm,谐振频率ωe=886.3062cm-1;优选出B3P86/6-311G（2df）方法对CCl2分子进行计算得到基态为X1A1,平衡核间距RC—Cl=0.17194nm、键角βCl—C—Cl=109.2457°、离解能De=3.4635eV,并计算出了谐振频率和力常数,其结果与实验值符合很好.并采用多体展式理论推导出CCl2自由基的解析势能函数,其等值势能图准确呈现出CCl2分子的结构特征及能量变化曲线.由此讨论了Cl＋CCl和C＋ClCl分子反应的势能面特征.可用于研究该分子的微观反应动力学特性.
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：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.
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![Preparation and Crystal Structure of 3-（<b style='color:red'>2</b>-Hydroxyphenyl） -6- （4-nitrophenyl）-7H- 1,<b style='color:red'>2</b>,4-triazolo[3,4-b][1, 3,4]thiadiazine](/image/thesis15 "Preparation and Crystal Structure of 3-（<b style='color:red'>2</b>-Hydroxyphenyl） -6- （4-nitrophenyl）-7H- 1,<b style='color:red'>2</b>,4-triazolo[3,4-b][1, 3,4]thiadiazine")
![Ionothermal Synthesis and Phase Transformation of Organic-inorganic Hybrid Neutral Zincophosphate Cluster [Zn（HPO4）（H<b style='color:red'>2</b>PO4）][C6H（10）N3O<b style='color:red'>2</b>]](/image/thesis16 "Ionothermal Synthesis and Phase Transformation of Organic-inorganic Hybrid Neutral Zincophosphate Cluster [Zn（HPO4）（H<b style='color:red'>2</b>PO4）][C6H（10）N3O<b style='color:red'>2</b>]")
