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  • 简介:Inthispaper,westudytheperturbationofspectrafor2×2operatormatricessuchasMX=(AX0B)andMZ=(ACZB)ontheHilbertspaceH⊕Kandthesets∩X∈B(K,H)Pσ(MX),∩X∈B(K,H)Rσ(MX)and∩Z∈B(H,K)σ(MZ),∩Z∈B(H,K)Pσ(MZ),∩Z∈B(H,K)Rσ(MZ),∩Z∈B(H,K)Cσ(MZ),whereR(C)isaclosedsubspace,arecharacterized

  • 标签: 算子矩阵 扰动 希尔伯特空间
  • 简介:以银离子、3,3′,4,4′-二苯硫酮四羧酸阴离子(tdpc)和4,4′-联吡啶(bipy),合成了一种新型化合物[十二水合(3,3,′4,4′-二苯硫酮四羧酸)(4,4′-联吡啶)水合银][Ag2(tdpc)(bipy)2][Ag2(bipy)2(H2O)].12H2O,该化合物为链状结构,Ag…Ag相互作用,bipy间π-π相互作用和氢键作用将化合物联接为三维超分子结构.

  • 标签: 银离子 四羧酸 联吡啶 晶体结构 配合物
  • 简介:  Enantioimericallypure1,l'-bi-2-naphthol(BINOL)1anditsderivativesareimportantchiralligandsandauxiliariesforanumberofasymmetrictransformations1suchasaldolcondensations,alkylations,Diels-Alderreactions,Michaeladditions,epoxidations,etc.Opticallypure1andtheirderivativeshavealsobeenusedextensivelyinchiralrecognition,chiralseparationandintheconstructionoffunctionalisedmaterials2.Furthermore,(R)-and(S)-BINOLarealsofundamentalstartingmaterialsforthesynthesisofalargevarietyofotherchiralbinaphthylssuchasMOP(2c),NOBIN(2d)andBINAP(2e).Asaresultthedevelopmentofefficientandeconomicmethodsforthepreparationofopticallypure1hasattractedmuchattentioninrecentyears3andnovelmethodsfortheresolutionof(±)-1continuetobedeveloped.……

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  • 简介:Themononuclearcomplex,[NtCl2(trzCHzCHzCOPh)4]·6H2O(trz=1,2,4-triazole),wassynthesizedanditsstructurewasdeterminedbysinglecrystalX-raydetermination.Itcrystallizesinthemonoclinicsystem,spacegroupP21/c,withlatticepa-rameters:a=0.80391(2)nm,b=1.06215(2)nm,c=2.90133(2)nm,β=94.792(1)°andZ=2.EachnickelatomiscoordinatedbyfourNatomsoftriazolefromfourβ-(1,2,4-IriHole-1-yl)propiophenoneligandsandtwochlorideanionsinarrangementwithoctahedralcoordinationgeometry.Inadditiontothecoordinatingnickelcomplex,therearesixunco-ordinatedwatermolecules.TheNi—Ndistanceis0.24865(8)nmandtheNi—Ndistaneesareintherangeof0.2072(2)to0.2099(2)nm,respectively.Inthesolidstate,theUtiecom-poundformsthreedimensionalnetworkstructurethroughhy-drogenbonds.Theintermolecularhydrogenbondsconnectthe[NiCl2(C2H2N3CH2CH2COPh)4]andH2Omoieties.Thedeepgreencrystalswerealsoexaminedbyelementalanalysis,FT-IRandUVspectra,whichareinagreementwiththestructuralda-ta.

  • 标签: 单晶结构 二氯镍 镍(Ⅱ)配合物 六水配合物 ·6H2O 八面体
  • 简介:AsimplespectrophotometricassayofH2O2andglucoseusingAgnanoparticleshasbeencarriedout.RelyingonthesynergisticeffectofH2O2reductionandultraviolet(UV)irradiation,Agnanoparticleswithenhancedabsorptionsignalsweresynthesized.H2O2servedasareducingagentintheAgnanoparticlesformationinwhichAg+wasreducedtoAg0byO2àgeneratedviathedecompositionofH2O2inalkalinemedia.Ontheotherhand,photoreductionofAg+toAg0underUVirradiationsalsocontributedtothenanoparticlesformation.ThesynthesizednanoparticleswerecharacterizedbyTEM,XPS,andXRD.TheproposedmethodcoulddetermineH2O2withconcentrationsrangingfrom5.010à7to6.010à5mol/L.Thedetectionlimitwasestimatedtobe2.010à7mol/L.SincetheconversionofglucosetogluconicacidcatalyzedbyglucoseoxidasewascompaniedwiththeformationofH2O2,thesensingprotocolhasbeensuccessfullyutilizedforthedeterminationofglucoseinhumanbloodsamples.Theresultswereingoodagreementwiththosedeterminedbyalocalhospital.Thiscolorimetricsensorthusholdsgreatpromisesinclinicalapplications.

  • 标签: 银纳米粒子 葡萄糖利用 过氧化氢 H2O2 UV 分光光度测定法
  • 简介:theAlternatingSegmentCrank-Nicolsonschemeforone-dimensionaldiffusionequationhasbeendevelopedin[1],andtheAlternatingBlockCrank-Nicolsonmethodfortwo-dimensionalproblemin[2].Themethodshavetheadvantagesofparallelcomputing,stabilityandgoodaccuracy.Inthispaperforthetwo-dimensionaldiffusionequation,thenetregionisdividedintobands,aspecialkindofblock.ThismethodiscalledthealternatingBandCrank-Nicolsonmethod.

  • 标签: 二维空间 分布函数 有限微分方程 边界条件
  • 简介:Thecopper(Ⅱ)complex[Cu3(nta)2(azpy)2(H2O2)]·6H2O(nta=nitrilotriacetate,azpy=4,4′-azobispyridine)hasbeensynthesizedandcharacterized.TheX-rayanalysisrevealsthattherearetwokindsofcopper(Ⅱ)coordinationenvironments.Cu(1)hasadistortedsquareplanesymmetryandCu(2)hasadistortedoctahedralsymmetry.Cu(1)islinkedtoCu(2)throughntaandboundtoCu(1C)byazpy,andCu(2)islinkedtoCu(2A)throughazpy,whichextendstotwo-dimensionalnetworkwithlargerhombus1.2nm×1.7nm.

  • 标签: 合成 结构 二(次氮基三乙酸酯)二(偶二嘧啶酰胺)二水三铜络合物
  • 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.

  • 标签: 合成 晶体结构 异核核糖核酸 有机聚合物
  • 简介:摘要随着城市进程不断推进,在城市规划中电网规划重视程度不断提高。电网规划不仅关系到电力系统安全稳定运行,还关系到一个城市发展远景,是支撑城市详规、控规关键因素。因此城市规划和电网规划是相辅相成、相互联系,电网规划只有服务于城市规划,才能为城市建设添砖加瓦,使城市经济发展和人民生活水平得到提高和改善。本文通过对城市规划中电网规划研究,提出电网规划明确目标。

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  • 简介:当堂反馈1.压强是反映——物理量.一辆“东风牌”汽车对地面的压强是1.8×10^4Pa它所表示物理含义是——.

  • 标签: 压强 物理量 东风牌
  • 简介:文[1]中提出了求解连续函数f(x)总体极小值均值算法,并证明了算法全局收敛性.若假设f(x)是定义在某可测集G上可测函数,本文证明了均值算法产生迭代序列全局收敛到f(x)本质极小值,若进一步假设函数f(x)满足测度Lipschitz条件,还证明了求可测函数均值算法是线性收敛.

  • 标签: 可测函数 总体极小值 线性收敛性 Lebesque测度 均值算法 测度Lipschitz条件
  • 简介:运用G98W程序,采用Lan12dz基组,对茂金属配合物[2,5-(Me3Si)2MeC5H2FeI(CO)2]进行从头算研究,探讨了配合物结构单元稳定性、分子轨道能量、原子净电荷布居规律,以及一些前线分子轨道组成特征等.结果表明,标题配合物在能量上可作为结构单元而稳定存在.该结构单元为茂金属配合物合成、分子组装分析和催化活性研究提供理论依据.

  • 标签: 茂金属 从头算 电子结构
  • 简介:Thecanonicalandlocatizedmolecutarorbitersof[NCCuS2NoS2]2-clusterwerecalculatedbymeansofCNDOquantumchemistrymethod.Thentheenergyandpropertiesofcorrespondingchemicatbondswerediscussed,especially,Cu-Sb-NothreecenterconjugatedπbondsandNo-St-Noconjugatedπbondswereaccountedfor.

  • 标签: CONJUGATED BONDS accounted CANONICAL ORBITAL bonding
  • 简介:测量了ZnO-TiO2-Bi2O3-CuO-Co2O3,ZnO-TiO2-Bi2O3-CuO-Cr2O3,ZnO-TiO2-Bi2O3-CuO-MnO2和ZnOTiO2-Bi2O3-CuO-MnO2-Co2O3-Cr2O3压敏陶瓷正电子寿命谱及其电性能参数。研究了MnO2、Co2O3和Cr2O3掺杂对ZnO-TiO2-Bi2O3-CuO压敏陶瓷电子密度和电性能影响。实验发现:ZnO-TiO2-Bi2O3-CuOCr2O3压敏陶瓷基体和晶界缺陷态电子密度均最高,其压敏电压最低;ZnO-TiO2-Bi2O3-CuO-MnO2压敏陶瓷晶界缺陷态电子密度最低,其压敏电压比前者高;ZnO-TiO2-Bi2O3-CuO-Co2O3压敏陶瓷基体(晶粒内)电子密度最低,其压敏电压较高;而ZnO-TiO2-Bi2O3-CuO-MnO2-Co2O3-Cr2O3压敏陶瓷基体和晶界缺陷态电子密度均较低,其压敏电压VT和非线性系数ɑ最高,漏电流IL最小。

  • 标签: ZnO基压敏电阻 金属氧化物掺杂 缺陷 电子密度 电性能
  • 简介:在未采取预电离措施情况下,研究了纯sf6气体及sf6/h29sf6/c2h6两种混合气体激光介质脉冲放电特性。实验结果表明,无预电离时SF68其混合气体介质可以实现自引发体放电,气体介质体放电维持电压主要由SF,;含量决定,C2H6具有抑制电弧作用,可以有效延长体放电维持时间。分析认为,sf66体高折合场强E/P导致放电通道电流密度受限和高电负度■引起放电通道中负离子分解产生二次电子,是介质实现自引发体放电重要机理。

  • 标签: HF激光 自引发 体放电 电弧放电
  • 简介:AnewlayeredCu-basedoxychalcogenideBa3Fe2O5Cu2S2hasbeensynthesizedanditsmagneticandelectronicpropertieswererevealed.Ba3Fe2O5Cu2S2isbuiltupbyalternativelystacking[Cu2S2]2-layersandironperovskiteoxide[(FeO2)(BaO)(FeO2)]2-layersalongthecaxisthatareseparatedbybariumionswithFe3+fivefoldcoordinatedbyasquare-pyramidalarrangementofoxygen.Fromthebondvalencearguments,weinferredthatinlayeredCuCh-based(Ch=S,Se,Te)compoundsthe+3cationinperovskiteoxidesheetprefersasquarepyramidalsite,whilethelowervalencecationprefersthesquareplanarsites.Thestudiesonsusceptibility,transport,andopticalreflectivityindicatethatBa3Fe2O5Cu2S2isanantiferromagneticsemiconductorwithaNe′eltemperatureof121Kandanopticalbandgapof1.03eV.Themeasurementofheatcapacityfrom10Ktoroomtemperatureshowsnoanomalyat121K.TheDebyetemperatureisdeterminedtobe113K.TheoreticalcalculationsindicatethattheconductionbandminimumispredominantlycontributedbyO2pand3dstatesofFeionsthatantiferromagneticallyarrangedinFeO2layers.TheFe3dstatesarelocatedatlowerenergyandresultinanarrowbandgapincomparisonwiththatoftheisostructuralSr3Sc2O5Cu2S2.

  • 标签: 钙钛矿型氧化物 铁磁半导体 光学带隙 德拜温度 电子性质 阳离子
  • 简介:采用平面波赝势(PWPP)方法进行密度泛函(DFT)计算,研究了Al掺杂对锐钛矿晶体能带、态密度影响.分析发现掺杂后Al原子3s和3p轨道上电子虽然对晶体价带和导带贡献不大,却诱使导带发生较大程度下移,禁带宽度减小,理论预测可以发生红移.采用低温燃烧合成法制备了Al掺杂锐钛矿型纳米TiO2,紫外-可见吸收光谱检测和甲基橙降解实验证明,Al掺杂TiO2光吸收强度增强,吸收带边界发生红移;光催化性能较纯TiO2有所改善.理论计算结果与实验结果相符.

  • 标签: 二氧化钛 纳米粉体 密度泛函 低温燃烧合成