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22 个结果
  • 简介:Thestudyofoperatorssatisfyingσja(T)=σa(T)isofsignificantinterest.Doesσja(T)=σa(T)forn-perinormaloperatorT∈B(H)ffThisquestionwasraisedbyMecheriandBraha[Oper.Matrices6(2012),725–734].Inthenoteweconstructacounterexampletothisquestionandobtainthefollowingresult:ifTisan-perinormaloperatorinB(H),thenσja(T)\{0}=σa(T)\{0}.Wealsoconsidertensorproductofn-perinormaloperators.

  • 标签: 运算符 注记 运营商 歌剧院 张量积
  • 简介:采用HF/DFT的混合泛函PBE0和UPBE0优化了配合物[Os(PH3)2(CN)2(N^N)](其中N^N=2,2′-吡啶)的基态和激发态结构.在基态和激发态结构的基础上,利用含时密度泛函理论(TD-DFT)方法,结合极化连续介质(PCM)模型分别计算了它在二氯甲烷(1)、甲醇(2)、气态(3)和乙腈(4)溶液中的吸收和发射光谱.研究结果表明:优化得到的几何结构参数和相应的实验值符合得非常好.在极性较大的溶剂(2和4)中Os—P(1)和Os—C(1)键较长,Os—N(3)键较短,溶剂的极性会影响配合物的电子云分布.配合物在1-4溶剂中的最低能吸收和发射均来自分子轨道68→71的激发,该激发被指认为[d(Os)+π(CN)+π(N^N)→π*(N^N)]的跃迁具有混合的MLCT/LLCT特征.配合物在1-4溶剂中的最低能吸收和发射分别在471,410,488和445nm以及598,536,634和545nm,表明随着溶剂极性的逐渐增大(3〈1〈4〈2),最低能吸收和发射发生明显的蓝移.这显示出通过改变溶剂极性可以调节配合物的发光颜色.

  • 标签: Os配合物 PBE0泛函 电子结构 溶剂化显色效应
  • 简介:以乙酰丙酮和1R,2R-环己二胺进行缩合得到NN'-双(乙酰丙酮)-1R,2R-环己二胺的Schiff碱配体L’,以乙酰丙酮和1S,2S-环己二胺进行缩合得到NN'双(乙酰丙酮)-1S,2S-环己二胺的Schiff碱配体L^2,然后将L^1和L^2与AgClO4,AgBF4,AgSbF6进行配位反应,得到了3个配合物Ag2(L^1)(L^2)ClO4)2n(1),Ag2(L^1)(L^2)(BF4)2n(2)和Ag2(L^1)(L^2)(SbF6)2n(3),并用元素分析,FT—IR和X-射线单晶衍射进行了表征。结果表明,配合物1-3都属于单斜晶系,空间群P21/n,配合物1的中心Ag(I)离子采用扭曲四面体的配位构型,配合物2和3的中心Ag(I)离子都是近似平面三角形的配位构型。配合物1—3都通过配位作用向空间扩展形成2D网状结构。

  • 标签: 乙酰丙酮 席夫碱 AG(I)配合物 晶体结构
  • 简介:利用密度泛函理论(DFT)中的B3LYP方法,在6-311G(d)基组的水平上系统研究了CaSin(n=1-10)团簇的几何构型、稳定性与光谱(红外与拉曼)性质.研究结果表明,CaSin团簇构型是在CaSin-1构型上戴帽1个原子而形成的;当n≥4,CaSin团簇的最低能量结构均为立体构型;Ca原子的掺杂降低了体系的化学稳定性;CaSi3与CaSi5是幻数结构;在相同的观察频段内,CaSi3团簇的红外与拉曼活性在低频段均表现较好,而在高频段拉曼活性则表现较差,与之不同的是CaSi5团簇的红外与拉曼活性在整个频段内都表现的较好.

  • 标签: CaSin团簇 结构与稳定性 光谱性质
  • 简介:Inthepresentwork,theLEDchipwasirradiatedbyusing59.6MeVNionsinaterminalchamberoftheSector-focusedcyclotron(SFC)intheNationalLabortaryofHeavy-ionAcceleratorsinLanzhou.The63MeVNionspenetratedthroughagoldfoilandscatteredinalargearea.Theenergyofionwasreducedto59.6MeVafterscatteringofthegoldfoil.TheLEDwasprovidedbytheSemiconductorLightingCenterinInstituteofSemiconductorinBeijing.TheluminencesoftheLEDbefore/afterirradiationweretestedthroughaintegratingsphereinSemiconductorLightingCenterinInstituteofSemiconductorinBeijing.Theluminancewastestedunderacurrentof350mA.Fig.1showstherelationshipbetweentheluminencesandtheirradiationfluences.Theirradiationledto

  • 标签: CHARACTERISTICS LUMINESCENCE IRRADIATED
  • 简介:10mol%CuIcombinedwiththeDMEDAligandcanefficientlycatalyzetheN-arylationof2-arylindoleswitharyliodidesandarylbromidesingoodtoexcellentyields.Thearylhalidesbearingelectron-richorelectron-deficientfunctionalgroupscanbewelltoleratedunderthismildreactionconditions.

  • 标签: 芳基卤化物 芳基化 催化 芳基碘化物 反应条件
  • 简介:采用密度泛函理论的B3LYP方法、从头算的MP2方法和自洽反应场极化连续模型(PCM),在6-311++G(2d,2p)基组水平上研究了N,N’-二甲基-S-异苯并呋喃在气相和溶液中发生S→N烷基重排反应的机理、溶剂效应和取代基效应.结果表明:该反应通过四元环机理和双位迁移机理生成产物,在气相和溶剂水中,双位迁移途径的能垒均比四元环途径低,反应主要通过双位迁移途径生成产物.在气相,苯环上发生-Cl,-NO2和-OCH3取代时,双位迁移途径的能垒在MP2/6-311++G(2d,2p)水平上比没有取代时分别低4.18,7.61,4.96kJ/mol,反应的取代基效应不明显.而在溶剂水中,苯环上发生-Cl,-NO2和-OCH3取代时,双位迁移途径的能垒在PCM-MP2/6-311++G(2d,2p)水平上比气相时分别低37.73,39.96和37.17kJ/mol,反应的溶剂化效应非常明显.理论研究结果与实验观察结果一致.

  • 标签: N N’-二甲基-S-异苯并呋喃 S→N烷基重排 溶剂化效应 反应机理 密度泛函理论
  • 简介:Thebaryonspectrumandthebaryoncouplingsaretwoofthemostimportantissuesinhadronicphysicsandtheyareattractingmuchattention.Bothontheexperimentalandtheoreticalsides,thenucleonexcitedstatesbelow2.0GeVhavebeenextensivelystudied[1].However,thecurrentinformationforthepropertiesofstatesaroundorabove2.0GeVisscarce.Ontheotherhand,inthisenergyregion,manytheoreticalapproacheshavepredictedmissingNstates,whichhavenotbeensofarobserved.Hence,thestudyofthepossibleroleplayedbythe2.0GeVregionnucleonresonancesintheavailableaccuratedataistimelyandcouldshedlightintothecomplicateddynamicsthatgovernsthehighexcitednucleonspectrum.

  • 标签: PHOTON HADRONIC Productions
  • 简介:Inthispaper,weintroducetheclassofn-normedgeneralizeddifferencesequencesrelatedtolp-space.Somepropertiesofthissequencespacelikesolidness,symmetricity,convergence-freeetc.arestudied.Weobtainsomeinclusionrelationsinvolvingthissequencespace.

  • 标签: 差分序列 空间相关 广义 序列空间 包含关系 对称性
  • 简介:Anumbilicalfreeorientedhypersurfacex:M→Rnwithnon-zeroprincipalcurvaturesiscalledaLaguerreisoparametrichypersurfaceifitsLaguerreformC=iCiωi=iρ1(Ei(logρ)(rri)Ei(r))ωivanishesandLaguerreshapeoperatorS=ρ1(S1rid)hasconstanteigenvalues.Hereρ=i(rri)2,r=r1+r2+···+rn1n1isthemeancurvatureradiusandSistheshapeoperatorofx.{Ei}isalocalbasisforLaguerremetricg=ρ2IIIwithdualbasis{ωi}andIIIisthethirdfundamentalformofx.Inthispaper,weclassifyallLaguerreisoparametrichypersurfacesinRn(n>3)withtwodistinctnon-zeroprincipalcurvaturesuptoLaguerretransformations.

  • 标签: 等参超曲面 主曲率 非零 拉格朗日 曲率半径 特征值
  • 简介:LargeapertureNd:phosphatelaserglassisakeyopticalelementforaninertialconfinementfusion(ICF)facility.N31,onetypeofneodymiumdopedphosphateglasses,wasdevelopedforhighpeakpowerlaserfacilityapplicationsinChina.ThecompositionandmainpropertiesofN31glassaregiven,togetherwiththoseofLHG-8,LG-770,andKGSS-0180Nd:phosphatelaserglasses,fromHoyaandSchott,andfromRussia.Thetechnologiesofpotmelting,continuousmelting,andedgecladdingoflargesizeN31phosphatelaserglassarebrieflydescribed.ThesmallsignalgainprofilesofN31glassslabsfrombothpotmeltingandcontinuousmeltingatvariousvaluesofthepumpingenergyofthexenonlamparepresented.N31glassischaracterizedbyastimulatedemissioncrosssectionof3.8×10-20cm2at1053nm,anabsorptioncoefficientof0.10–0.15%cm-1atlaserwavelength,smallresidualstressaroundtheinterfacebetweenthecladdingglassandthelaserglass,opticalhomogeneityof~2×10-6ina400mmaperture,andlaserdamagethresholdlargerthan42J/cm2fora3nspulsewidthat1064nmwavelength.

  • 标签: NEODYMIUM PHOSPHATE laser GLASS large APERTURE
  • 简介:Inthispaper,theconductionband-edgenon-parabolicity(NP)andthecircularcross-sectionradiuseffectsonhydrogenicshallow-donorimpurityground-statebindingenergyinzinc-blende(ZB)InGaN/GaNcylindricalQWWsarereported.Thefinitepotentialbarrierbetween(In,Ga)NwellandGaNenvironmentisconsidered.Twomodelsoftheconductionband-edgenon-parabolicityaretakingintoaccount.Thevariationalapproachisusedwithintheframeworkofsinglebandeffective-massapproximationwithone-parametric1S-hydrogenictrialwave-function.ItisfoundthatNPeffectismorepronouncedinthewireofradiusequaltoeffectiveBohrradiusthaninlargeandnarrowwires.Moreover,thebindingenergypeakshiftstonarrowwireunderNPeffect.Agoodagreementisshowncomparedtothefindingsresults.

  • 标签: 施主杂质 氮化镓 物性 导带 圆柱 GA