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69 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:建立了用于混合铜矿石中自由氧化铜测定的方法。试样用含亚硫酸钠(6g/L)的硫酸(10%)溶液浸取2h,选择性溶解铜氧化物,过滤并煮沸滤液,用去离子水稀释后电解。溶液中的铜离子电积至阴极铂网上。用火焰原子吸收光谱法检测残余于电解后液中的铜离子;同时用硝酸(1+1)溶解铂网上的铜,并用火焰原子吸收光谱法检测与阴极铜共电积的杂质元素含量,用铂阴极差重加上电积后液残余铜含量并减去共电积的杂质元素含量可计算出氧化铜矿中酸溶铜含量。与碘量法相比,不用肉眼观察颜色变化确定终点,人为误差小,结果稳定、准确。通过对加拿大氧化铜矿标准物质AMIS0050进行测定(n-12),方法准确度可靠。并选取15批次的氧化铜矿检测,与经典碘量法比对,结果令人满意。

  • 标签: 混合铜矿 自由氧化铜 电重法 碘量法
  • 简介:DimerizationConstantDeterminationof-O-Benzoyl-β-CyclodextrininAqueousSolution.DimerizationConstantDeterminationof-O-Benzoyl?..

  • 标签:
  • 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:讨论了铅锌混合矿经氨性浸出,在硝酸溶液中,有过硫酸铵存在下煮沸,消除S^2-,Br,I^-,SCN^+和CN^-的干扰,然后在0.30~0.50mol/L稀硝酸溶液中,在自动电位滴定仪上,用硝酸银标准溶液滴定,计算氯量。平行5次测定的相对标准偏差为2.7%~4.8%,加标回收率为97.0%~104.0%。该方法简便、快速、准确。在实际应用中获得满意结果。

  • 标签: 电位滴定法 精密度 加标回收率 铅锌混合矿
  • 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