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63 个结果
  • 简介:Quasiclassicaltrajectorycalculation(QCT)isusedfrequentlyforstudyingcollisionalenergytransferbetweenhighlyvibrationallyexcitedmoleculesandbathgases.Inthispaper,theQCToftheenergytransferbetweenhighlyvibrationallyexcitedC6F6andN2,O2andgroundstateC6F6wereperformed.TheresultsindicatethathighlyvibrationallyexcitedC6F6transferredvibrationalenergytovibrationaldistributionofN2,O2andgroundstateC6F6,sotheyareV-Venergytransfer.EspeciallyitismainlyV-VresonanceenergytransferbetweenexcitedC6F6andgroundstateC6F6,excitedC6F6transfersmorevibrationalenergytogroundstateC6F6thantoN2andO2.ThevaluesofQCT,-〈△Evib〉ofexcitedC6F6aresmallerthanthoseofexperiments.

  • 标签: 准经典轨道计算 碰撞能转换 C6F6 N2 O2 氟苯
  • 简介:Thenovelcomplex[K(18-C-6)]2[Cd(mnt)2][18-C-6-18-crown-6,nmt=1,2-dicyanoethene-1,2-dithiolate,C2S2-(CN)2^2-]wassynthesizedandcharacterizedbyelementalanalysis,IRspectrumandX-raydiffractionanalysis.Thecomplexdisplaystwo-dimensionalnetworkstructureof[K(18-C-6)]complexsegmentsand[Cd(nmt)2]complexsegmentbridgedbyS-K-S,S-K-NandN-K-Ninteractionsbetweenadjacent[K(18-C-6)]and[Cd(mnt)2]units.

  • 标签: 二维网络 合成 晶体结构 18-冠醚-6络合物 镉络合物 1 2-二氰基乙烯-1 2-连二硫酸镉
  • 简介:有CuBr2和CdI2催化的公司的1-bromo-6-chlorohexane的Photopromotedcarbonylation在周围的条件下面被执行了。结果显示carbonylation在CuBr2的催化作用下面继续chloroesterClCH2(CH2)5COOCH3的主要产品。而且,carbonylation的活动能被基本添加剂的增加改进(NaOAc,Na3PO4或(n-C4H9)3N)。在这些添加剂之中,(n-C4H9)3N以ClCH2(CH2)5COOCH3的收益是最有效的。然而,代替BrCH2(CH2)5COOCH3的氯产品的methoxycarbonyl没面对CdI2被获得。这与monochloroalkane的carbonylation相当不同。

  • 标签: 光质子羰基化 1-溴-6-氯己烷 溴化铜 三-n-丁胺
  • 简介:DimerizationConstantDeterminationof-O-Benzoyl-β-CyclodextrininAqueousSolution.DimerizationConstantDeterminationof-O-Benzoyl?..

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  • 简介:Poly-3-methylthiophene(P3MT)在房间温度被综合离子的液体1-butyl-3-methylimi-dazoliumhexafluorophosphate([BMIM]PF6)由经常的潜在、经常的电流分别地。P3MT电影的结构和形态学被FTIR光谱和SEM描绘。undoped(减小)并且做(氧化)在离子的液体准备的P3MT电影的形式可逆、稳定。P3MT电影有维生素酸和罐头的electrocatalytic氧化的强壮的特征分开维生素酸和多巴胺的氧化山峰。潜在的步的二个方法被用来观察这部电影的反应时间,这部电影被发现有完美的electrochromic反应。

  • 标签: 电聚合 3-甲基噻吩 PF6离子液体 表征 维生素C 合成
  • 简介:对金银花中Mn,Fe,Cu,Zn,Ca和Mg6种金属元素的化学形态进行了分析。用传统的煎煮法把元素提取以后,分别采用0.45μm微孔滤膜、LSA-10大孔吸附树脂柱、正辛醇/水分配体系,以区分元素的可溶态和悬浮态、有机态和无机态、醇溶态和水溶态,最后用火焰原子吸收光谱法(FAAS)对湿法消解以后的各种元素进行测定。结果表明,6种元素的提取率在14.97%~48.54%,悬浮态的颗粒吸附率在4.02%~19.84%,加标回收率在96.58%~103.9%,RSD(n=6)≤2.4%。

  • 标签: 金银花 金属元素 火焰原子吸收光谱法 形态分析
  • 简介:AseriesofdoubleperovskitesRSrMnFeO_6(R=La,Pr,Nd,Sm)wassynthesizedundermildhydrothermalconditions.Crystalgrowthsofthesamplesweresensitivetoalkalinity,temperature,fillingfraction,andcompositionofinitialreactionmixture.ThedesiredseriesofcompoundsbelongstotheclassofAA'BB'O_6perovskiteswitharandomdistributionofMnandFeatomsovertheB-cationsub-lattice.TheirstructuresshowthedistortedorthorhombicsymmetrywithspacegroupPnma.TheshapesandsizesofthecrystalswereanalyzedonaRigakuJSM-6700Fbyscanningelectronmicroscopy.AnalysisdonebyXPS,MssbauerspectroscopyandiodometrictitrationrevealsthatMnandFeionshave+4and+3oxidationstates,respectively.

  • 标签: 钙钛矿相 水热合成 扫描电子显微镜 表征
  • 简介:Onenewsesquiterpenecompound,namely,illihenlactoneA(1),andonenewprenylatedC6–C3compound,illihenryioneH(2),alongwiththreeknownsesquiterpenes(3–5)wereisolatedfromthestemsofIlliciumhenryi.Thestructuresof1and2wereelucidatedbyspectroscopicevidenceincludingNMR,HRESIMSandcirculardichroism(CD).Compound2exhibitedaweakinhibitoryratioforbglucuronidasereleaseinducedbyplatelet-activatingfactor(PAF)inratpolymorphonuclearleukocytes(PMNs)invitro.

  • 标签: 下线 服务 迁移
  • 简介:用量子化学原理,CIS/6-31+G(d,p)方法研究了2-甲基环戊酮离子前6个激发态的解离过程,通过虚频的振动分析,计算其可能产物,寻求2-甲基环戊酮离子的解离通道和解离产物.

  • 标签: 2-甲基环戊酮离子 解离 激发态 虚频 量子化学
  • 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.

  • 标签: 2/6-取代色酮 抗癌试剂 多磷酸 开环效应
  • 简介:Anumberofnaphthalenedonorcompoundsthatpossessanadamantanaminebindingmoietyandan(OCH2CH2)n(nn1,2,3,4,6,8)spacerweresynthesized.Thefluorescencequenchingbetweenthesedonorsubstratesandmono-6-O-p-nitrobenzoyl-β-cyclodextrin(pNBCD)andmono-6-O-m-nitrobenzoyl-β-cyclodextrin(mNBCD)wasstudiedindetail.Itwasfoundthatveryefficientfluorescencequenchingcouldoccurinthesesupramolecularsystems.Thisquenchingwasattributedtothephotoinducedelectrontransferinsidethesupramolecularassemblybetweenthenaphthalenedonorsandcyclodextrinacceptors.DetailedStern-VolmerconstantsweremeasuredandtheywerepartitionedintodynamicStern-Volmerquenchingconstantsandstaticbindingconstants.Itwasdemonstratedthatthebindingconstantsbetweenallthenaphthalenecompoundsandcyclodextrinsarethesameastheypossessthesamebindingsite,i.e.,adamantanamine.

  • 标签: 光致电子转移 Host-Guest化合物 2-萘基-(乙烯氧基)n-金钢石 单-6-O-p-硝基苯甲酰基-β-环式糊精 单-6-O-m-硝基苯甲酰基-β-环式糊精
  • 简介:Polyamide/acrylonitrile-butadiene-styrenecopolymer(PA/ABS)blendshavedrawnconsiderableattentionfrombothacademiaandindustryfortheirimportantapplicationsinautomotiveandelectronicareas.DuetopoormiscibilityofPAandABS,developinganeffectivecompatibilizationstrategyhasbeenanurgentchallengetoachieveprominentmechanicalproperties.Inthisstudy,wecreateasetofmechanicallyenhancedPA6/ABSblendsusingtwomulti-monomermelt-graftedcompatibilizers,SEBSg-(MAH-co-St)andABS-g-(MAH-co-St).Thedisperseddomainsizeissignificantlydecreasedandmeanwhiletheunique“softshell-encapsulating-hardcore”structuresforminthepresenceofcompatibilizers.Theoptimummechanicalperformancesmanifestanincreaseof36%intensilestrengthandanincreaseof1300%inimpactstrength,comparedwiththeneatPA6/ABSbinaryblend.

  • 标签: MELT BLENDING MULTI-PHASE COMPATIBILIZER Morphology Tensile
  • 简介:ThecrystalstructureofN-(2,3,4,6-tetra-O-acetyl-β-D-gly-cosyl)-thiocarbamicbenzoylhydrazine(C22H27N3O9S)wasdeterminedbyX-raydiffractonmethod.Thehexopyranosylringadoptsachairconformation.Alltheringsubstituentsareintheequatorialpositions.Theacetoxyl-methylgroupisinsynclinalconformation.TheSatomisinsynperiplanarconformationwhilethebenzoylhydrazinemoietyisanti-periplanar.Thethiocarbamicmoietyisalmostcompanarwiththebenzoylhydrazinegroup.Therearetwointramolecularhydrogenbondsandoneintermolecularhydrogenbondforeachmoleculeinthecrystalstructure.Themoleculesformanetworkstructurethroughintermolecularhydrogenbonds.

  • 标签: 晶体结构 N-(2 3 4 6-四-间-乙醚基-β-D-糖基)硫氨基甲酸苯甲酰肼 氢键 构象
  • 简介:Twonovelcyclotriphosphazenederivativescontaining6-(4-hydroxyphenyl)-2,2'-bipyridine(hopbp)sidegroups,N_3P_3(dobp)_2(hopbp)_2(1)andN_3P_3(dobp)(hopbp)_4(2)(dobp=2,2'-dioxybiphenyl),weresynthesizedandcharacterized.Thesecompoundsdisplaystrongfluorescentemissionbothinsolutionandinsolidstate.Theirabsorptionandemissionspectraaresensitivetoproton:theadditionofHBF4tothemethanolanddichloromethanesolution(9∶1,volumeratio)ofcompound1ledtoared-shiftfrom350to460nmfortheemissionspectrum,andtheprocesswasalsocharacterizedbyisosbesticpointsofabsorptionspectraat267,287and313nm.

  • 标签: 二嘧啶 合成 质子 光谱学
  • 简介:Aseriesofethyl6-alkoxy-7-phenyl-4-hydroxy-3-quinolinecarboxylatesweredesignedandsynthesized.Theirstructureswereconfirmedby~1HNMR,~(13)CNMR,IRandHRMS.ThebiologicalactivitieswereprimarilyevaluatedagainstEimeriatenellaaccordingtoAnticoccidialIndex(ACI)methodinvivo.Theresultsshowedthatcompounds5e,5fand5iexhibitedanticoccidialactivitiesagainstE.tenellaat27mgkg~(-1).

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