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500 个结果
  • 简介:Thedipole-length,velocityandaecelerationabsorptionoscillatorstrengthsforthe1s^22p-ls^2nd(3_2=11to20arecalculatedusingtheenergiesandthemulticonfiguratloninteractionwavefunctionsobtainedfromafullcorepluscorrelationmethod.Theagreementbetweenthef-valuescalculatedfromthelength,velocityandaccelerationformulaeisexcellent.Ourresultsagreecloselywiththeexperimentaldataavailableintheliterature.Combiningthesediscreteoscillatorstrengthswiththesingle-channelquantumdefecttheory,thediscreteoscillatorstrengthsforthetransitionsfrom1s^22pstatetohighlyexcitedstates(n_>10)andtheoscillatorstrengthdensitiescorrespondingtothebound-freetransitionsareobtained.

  • 标签: 类锂系统 振荡器 量子缺陷 电离化原子系统 原子物理学
  • 简介:Thecrystalandmolecularstructuresof[(C3H7O)2PS2]2(CCDCNo.217201)weredeterminedbymeansofX-raycrystallography.ItcrystallizedinatriclinicsystemwithspacegroupP1^-andlatticeparametersa=0.82794(3)nm,b=0.84764(2)nm,c=0.85034(3)nm,α=97.78(3)°β=110.77(3)°,γ=94.95(3)°,V=0.54701(9)nm^3,Z=1.Inthismolecule,thetwodiisopropyldithiophosphategroups,[(C3H7O)2PS2]2,whichareparalleltoeachother,arelinkedbyanS--Sbondandthereexistinversioncentersinthemolecule,Inthestructure,theP=Sbondsinthetwodithiophosphateunitsaretrans-orientedtoeachother.

  • 标签: X射线结晶学 二烃基二硫代磷酸盐 中心对称 2 晶体结构 O'-二异丙基二硫代磷酸盐
  • 简介:Thethermalbehavior,mechanismandkineticparametersoftheexothermicfirst-stagedecompositionofthetitlecompoundinatemperature-programmedmodewereinvestigatedbymeansofDSC,TG-DTGandIR.Thereactionmechanismwasproposed.Thekineticmodelfunctionindifferentialform,apparentactivationenergy(Ea)andpre-exponentialfactor(A)ofthisreactionare(3/2)(1-a)[-In(1-a)]^1/3,185.52kJ/moland10^17.78s^-1,respectively.Thecriticaltemperatureofthethermalexplosionofthecompoundis201.30℃.Thevaluesof△S^≠,△H^≠and△G^≠ofthisreactionare72.46J/(mol·K),175.1kJ/moland141.50kJ/mol,respectively.

  • 标签: 2 6-二(2 2 2-三硝基乙烷)甘脲 分解反应 化学动力学 化学热力学 反应机理
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  • 简介:Anewapproachtothesynthesisof2,2″-biflavanonesbythereductivedimerizationoffla-vonesisreported.Theproducts,theracemateandmesobiflavanones,havebeenseparatedandtheirstructureshavebeendeterminedonthebasisoftheirspectraldata.Theconfigurationof3bhasbeendeterminedbyX-raycrystallographyaswell.

  • 标签: REDUCTIVE SEPARATED BENZENE biflavanones absolute herein
  • 简介:Themonomericcobalt-phosphite-thiolatocomplex[Co(mpt)2{P(OCH3)3}2]BF4(Hmpt=2-mercaptothiazoline)hasbeenpreparedandcharacterizedbyX-raycrystallography.ThecomplexcrystallizesinthemonoclinicspacegroupC2/cwitha=0.8078(5),b=2.6020(18),c=1.2191(7)nm,β=99.38(1)°,V=2.528(3)nm3,andZ=4.Thestructurecomprisesdiscretecations[Co(mpt)2{P(OCH3)3}2.]+andanionsBF4-,inwhichthecobalt(Ⅲ)atomiscoordinatedtotwochelatempt-andtwoas-orientedmonodentateP(OCH3)3ligandsinahighlydistortedoctahedralgeometry.ThemostdistortedanglesareS(2)-Co(1)-S(2a)of162.23(10)°andN(1)-Co(1)-S(2)of71.47(13)°,thelatteriscausedbythegeometricconstraintofthebidentateligandmpt-.CyclicvoltammetryhasbeenusedtostudytheelectrochemicalbehaviorofthetitlecomplexontheRelectrodeinMeCNsolutionwith0.1mol·L-1ofBun4NBF4aselectrolyte.TheresultsindicatethatthetitlecomplexisunstableinMeCN.

  • 标签: Cobalt(III) complex 2-mercaptothiazoline trimethylphosphite crystal structure
  • 简介:Metalion-imprintedlycrosslinkedchitosanresin1andresin2werepreparedbytheuseofCu^2+andNi^2+astemplateionsandglutaraldehydeascrosslinkingagent,respectively,ThroughinvestigationontheadsorptioncapactiesandbindingconstantsforCu^2+,Ni^2+andCo^2+ionsonchitosanresins,resin1andresin2exhibittheadsorptionselectivityforthemixturesolutionof1L1Cu^2+andNi^2+ions.Theadsorptionselectivityofmetalion-imprintedresinsfortheirtemplateionsinmuchhigherthanthatofuncrosslinkedchitosanresin.

  • 标签: 金属离子分离 脱乙酰壳多糖合成树脂 吸附选择性
  • 简介:在有ArSSAr的THF的SmI2的反应生产了二binuclear钐thiolate建筑群[(THF)3I2-Sm(-SAr)]2[Ar=Ph(1),4-Me2NC6H4(2)]在高收益。2的结构被单个水晶X光检查晶体学描绘。2的水晶与空格组和a=0.95705(13)一起属于三斜晶系的系统nm,b=1.22287(14)nm,c=1.26450(14)nm,=64.194(11)??匭吗??v??

  • 标签: 硫醇盐 合成方法 晶体结构 结构化学
  • 简介:有N-(2-propionic酸)的新奇金轧(III)建筑群-salicyloylhydrazone(C10H10N2O4,H3L)并且1,10-phenanthroline(C12H8N2,phen)被准备并且描绘。水晶结构[Gd(H2L)(HL)-(H2O)3]2潲楰湯捩???慳楬祣潬汹?票牤穡湯??ㄠ??桰湥湡桴潲楬敮???????楢慯瑣癩瑩?

  • 标签: 邻二氮杂菲 晶体结构 X射线衍射 三斜晶系
  • 简介:In[1],ShenGuangyuconstructedseveralclassesofnewsimpleLiealgebrasofcharacteristic2,whicharecalledthevariationsofG2.Inthispaper,theauthorsinvestigatetheirderivationalgebras.ItisshownthatG2anditsvariationsallpossessuniquenondegenerateassociativeforms.TheauthorsalsofindsomenonsingularderivationsofViGfori=3,4,5,6,andtherebyconstructsomeleft-symmetricstructuresonViGfori=3,4,5,6.Someerrorsaboutthevariationsofsi(3,F)in[1]arecorrected.

  • 标签: 变分 导子代数 结合型 左对称结构 LIE代数 特征
  • 简介:Theobjectinthispaperistoconsidertheproblemofexistence,uniqueness,explicilrepresentationof(0,2)-interpolationonthezerosof(1-x2)Pn-1(x)/xwhennisodd,wherePn-1denotesLegendrepolynomialofdegreen-1,andtheproblemofconvergenceofinterpolatorypolynomials.

  • 标签: INTERPOLATION CONST UNIQUENESS details polynomial arbitrary
  • 简介:在惯性约束聚变(ICF)研究中,激光烧蚀引起的瑞利-泰勒(R-T)不稳定性发展是一个重要的过程,对于燃料的均匀压缩、能量吸收率的提高等方面有很大的影响,因此必须进行仔细的研究。利用单色性、方向性、相干性均非常好的类镍银13.9am的X射线激光作为探针光源,采用阴影成像方法,可以对R-T不稳定性的发展进行空间分辨率很高(约1~2μm)的实验诊断,为相应的理论研究提供可供比对校验的实验样本。

  • 标签: R-T不稳定性 X射线激光 激光诊断 惯性约束聚变 实验诊断 瑞利-泰勒
  • 简介:ConsideringthatKBe2BO3F2(KBBF)isanoutstandingdeepultravioletcrystalwhichcangeneratetheshortestwavelengthsinsecondharmonicgenerationandsum-frequencygeneration,wereportthedeterminationofthenonlinearopticalcoefficientsoftheKBBFcrystal.Thed11coefficientwasdeterminedtobe0.49pm/VbytheMakerfringesmethodatthewavelength1064nm,whichisinagreementwellwiththetheoreticalvalue.

  • 标签: 非线性光学 KBe2BO3F2晶体 测量
  • 简介:Thetitlecomplex,[La(baec)1/2(H2btec)1/2(H2O)]n(H4btec=1,2,4,5-benzenetetracarboxylicacid)(1)wassynthesizedbythehydrothermalreactionof1,2,4,5-benzenetetracarboxylicdianhydridewithLa(NO3)3·6H2OinH2O,andcrystallizesinthetriclinicsystem,spacegroupP-1withα=0.64403(3)nm,b=0.94500(4)nm,c=0.96380(5)nm,α=88.535(2)°,β=100.314(2)°,γ=76.6470(10)°,V=1.69968(10)nm^3,Z=2,andfinalR=0.0274,Rw=0.0735.In1,eachLa(Ⅲ)ioniscoordinatedbyeightoxygenatomsfromsixcarboxylategroupsandonecoordinatedwatermolecule.TwodifferentcoordinstionmodesofH4btecwerePresentinthestructure,oneofwhichcontainstwoprotonatedcarboxylategrougpstobalancethecharge.

  • 标签: 水热合成 镧配合物 结构 1 2 4 5-苯四羧酸
  • 简介:Halfsandwichirondicarbonylcomplex[η5-C5H3(t-Bu)2]Fe(CO)2Cl(1)reactswith1,2-dilithiumdiselenocarboraneLi2Se2C2B10H10(2)togiveabinuclearironcarboranecomplex[η5-C5H3(t-Bu)2]2Fe2(CO)3*Se2C2B10H10(3).TheX-raydiffractionanalysisofcomplex3revealsthatoneoftheironatomsischiral.

  • 标签: Carborane Halfsandwich IRON complex Chirality Molecular