学科分类
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307 个结果
  • 简介:ACupro-8-thioquinolinecoordinationpolymer,[Cu^I(C9H6NS)]n,wassynthesizedbymethano-thermalreactionofCuCland8,8′-dithiodiquinoline(dtdq)inamolarratioof2:1at160℃for7d.X-Raysinglecrystalstructuredeterminationrevealedtheformationofaone-dimensionalstructurebelongingtomonocliniccrystalsystem,spacegroupP21/cwithcellparametersa=0.8043(1)nm,b=1.8949(3)nm,c=1.1048(1)nm,β=110.109(4)°,V=1.5810(4)nm^3andZ=4,Thecrystalwasfoundtobestableuptoapproximately300℃bythermalanalysisandhaveanenergygap(Eg)of2.0eVexhibitedbyUV-Vis-NIRreflectancespectrum.

  • 标签: n 8-硫代喹啉 铜(Ⅰ) 核磁共振 紫外光谱 配位聚合物
  • 简介:Anovelseriesofpyrido[1,2-e]purin-4(3H)-onederivativescontainingpolarsubstituentson5'-positionweredesignedandpreparedaspotentialPDE5inhibitors.Thispaperreportsthesyntheticroutes,1H-NMRdata,andthePDE5inhibitoryactivitiesofthetargetcompounds.Thepolarpiperazinylgroupcontained(on5'-position)compound,3B2,showedthehighestactivityamongthetestedderivativesbutlesspotencythansildenafil1.

  • 标签: 嘌呤 衍生物 抑制剂 磷酸二酯酶 合成方法
  • 简介:应用量子化学从头计算和密度泛函理论(DFT)对HO2+C2H2反应体系的反应机理进行了研究.在B3LYP/6-311G**和CCSD(T)/6-311G**水平上计算了HO2+C2H2反应的二重态反应势能面.计算结果表明,主要反应方式为自由基HO2的H原子和C2H2分子中的C原子结合,经过一系列异构化,最后分解得到主要产物P1(CH2O+HCO).此反应是放热反应,化学反应热为-321.99kJ.mol-1.次要产物为P2(CO2+CH3),也是放热反应.

  • 标签: 密度泛函理论 HO2+C2H2 势能面 反应机理
  • 简介:Weexperimentallydemonstratedatypeoftunableandswitchableharmonich-shapedpulsegenerationinathulium-dopedfiber(TDF)laserpassivelymodelockedbyusinganultralongnonlinearopticalloopmirror.Thetotalcavitylengthwas~3.03km,thelongesteverbuiltforaTDFlasertoourbestknowledge,whichresultedinanultralargeanomalousdispersionover-200ps~2aroundtheemissionwavelength.Theproducedh-shapedpulsecanoperateeitherinafundamentalorinahigh-orderharmonicmode-locking(HML)statedependingonpumppowerandintra-cavitypolarizationstate(PS).Thepulseduration,nomatteroftheoperationstate,wastunablewithpumppower.However,pulsebreakingandself-organizingoccurred,resultinginhigh-orderHML,whenthepumppowerincreasedaboveathreshold.Atafixedpumppower,theorderofHMLwasswitchablefromonetoanotherbymanipulatingthePS.Switchingfromthe8thuptothe48thorderofHMLwasachievedwithafixedpumppowerof~4.15W.OurresultsrevealedthedetailedevolutionandswitchingcharacteristicsoftheHMLandindividualpulseenvelopewithrespecttoboththepumppowerandPS.Wehavealsodiscussedindetailthemechanismsofboththeh-shapedpulsegenerationandtheswitchingofitsHML.Thiscontributionwouldbehelpfulforfurtherin-depthstudyontheunderlyingdynamicsoflong-durationparticular-envelopepulseswithultralargeanomalousdispersionandultralongroundtriptime.

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  • 简介:Inthispaper,weinvestigatetheglobalexistenceandlongtimebehaviorofstrongsolutionsforcompressiblenematicliquidcrystalflowsinthreedimensionalwholespace.TheglobalexistenceofstrongsolutionsisobtainedbythestandardenergymethodundertheconditionthattheinitialdataareclosetotheconstantequilibriumstateinH~2-framework.IftheinitialdatasinL~1-normarefiniteadditionally,theoptimaltimedecayratesofstrongsolutionsareestablished.WiththehelpofFouriersplittingmethod,onealsoestablishesoptimaltimedecayratesforthehigherorderspatialderivativesofdirector.

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  • 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:Inthiswork,acidfunctionalizedmulti-wallcarbonnanotubes(MWCNTs)weremodifiedwithimidazolium-basedionicliquids.Theselectiveoxidationofvariousalcoholswithhydrogenperoxidecatalyzedby[PZnMo_2W_9O_(39)]~(5-),ZnPOM,supportedonionicliquids-modifiedwithMWCNTs,MWCNTAPIB,isreported.Thiscatalyst[ZnPOM@APIB-MWCNT],wascharacterizedbyX-raydiffraction,scanningelectronmicroscopy(SEM)andFT-IRspectroscopicmethods.Thisheterogeneouscatalystexhibitedhighstabilityandreusabilityintheoxidationreactionwithoutlossofitscatalyticperformance.

  • 标签: 多壁碳纳米管 离子液体 催化剂 多金属氧酸盐 氧化改性 H2O2
  • 简介:两个都与高chemoselectivity介绍芳香、脂肪族的主要的氨基的组的一个一步舞过程被开发。三位字节州的丙酮从聚合电影底层的C-H契约和是积木和氨基的组搬运人的酚的O-H契约提炼氢原子。作为结果,二种自由激进分子,聚合物底层的限制的以碳为中心的链激进分子和活动以氧为中心的含苯氧基的激进分子,被产生。然后,公司契约被在这些二种自由激进分子之间的联合反应形成。p-Tyramine和p-aminophenol被用作氨基的搬运人。氨基的组的成功的介绍被水合同角度(CA)的大小表明到LDPE,BOPP和宠物电影底层上,紫外系列(紫外),X光检查光电子光谱学(XPS)并且荧光灯显微镜学。处理因素p-tyramine和p-aminophenol的集中,和丙酮/水的比率例如紫外光的紧张和照耀时间,被调查。优化进程参数如下:紫外轻紧张9500W/cm2;为BOPP和LDPE的照耀时间18min,为宠物的22min;丙酮/水=的比率1;并且p-tyramine和p-aminophenol的集中15%为BOPP和LDPE,1%为宠物。基于紫外吸收度,聚合底层上的氨基的组被估计在6.3浥汵楳湯瀠汯浹牥穩瑡潩獮眠瑩?慣楴湯捩?湡潩楮?档牡敧?湩的范围吗?

  • 标签: 氨基酸组成 聚合物薄膜 苯酚衍生物 光诱导 苯氧自由基 X射线光电子能谱
  • 简介:AlaminarpremixedPropane/Airflamewithafuelequivalenceratioof2.1wasemployedforanalysisofsootparticles.Zeroth-orderIognormaldistributions(ZOLD)wereusedintheanalysisofexperimentaldistributionphenomenaatdifferentresidencetimesduringsootformationintheflame.Rayleigh'stheoryandMie'sscatteringtheorywerecombinedwithagglomerateanalysisusingscatteringandextinctiondatatodeterminethefollowingsootcharacteristics:agglomerateparameters,volumetricfractions,massflowratesandsurfacegrowthrate.Sootdensitymeasurementswerecarriedouttodeterminedensityvariationsatdifferentstagesofgrowth.Themeasuredresultsshowthatmetricfractionandmassflowrateindicatethatthesurfacegrowthrateofsootparticlesexceedstheoxidationratesintheflamestudied.Thedataobtainedinthisworkwouldbeusedtostudysootoxidationrateunderflamingcondition.

  • 标签: 烟灰颗粒 凝聚参数 表面生长速率 密度 ZOLD 零次对数正态分布
  • 简介:Theoccurrencemodesofalkaliandalkaline-earthmetals(AAEMs)incoalrelatetotheirreleasebehaviorandashformationduringcombustion.TobetterunderstandthetransformationofAAEMs,thereleasebehaviorofwater-soluble,HCl-soluble,HCl-insolubleAAEMsduringShenmucoal(SMcoal)oxy-fuelcombustioninthepresenceofSO2andH2Oinadrop-tubereactorwasinvestigatedthroughserialdissolutionusingH2OandHClsolutions.TheresultsshowthatthereleaseratesofAAEMsincreasewithanincreaseintemperatureunderthethreeatmospheresstudied.ThehighreleaseratesofMgandCafromSMcoalaredependentonthehighcontentofsolubleMgandCainSMcoal.SO2inhibitsthereleaseratesofAAEMs,whileH2Opromotesthem.TheeffectsofSO2andH2OontheNaandKspeciesaremoreevidentthanthoseonMgandCaspecies.AllthreetypesofAAEMsincoalcanvolatilizeinthegasphaseduringcoalcombustion.TheW-typeAAEMsreleaseexcessively,whereasthereleaseratesofI-typeAAEMsarerelativelylower.DifferenttypesofAAEMmayinterconvertthroughdifferentpathwaysundercertainconditions.BothSO2andH2Opromotethetransformationreactions.TheeffectofSO2wasrelatedtosulfateformationandthepromotionbyH2OoccursbecauseofadecreaseinthemeltingpointofthesolidaswellasthereactionofH2O.

  • 标签: 富氧燃烧 碱土金属 神木煤 碱金属 管式反应器 HCL溶液
  • 简介:AseriesofnovelN-(3-furan-2-yl-1-phenyl-1H-pyrazol-5-yl)amidesderivativesweredesignedandsynthesized.Theirstructureswereconfirmedby1HNMR,13CNMRandHRMS.Alltitlecompoundswereevaluatedfortheirherbicidalandantifungalactivities.Preliminarybioassayresultsindicatedthatthetitlecompoundsshowedgoodtomoderateherbicidalactivityat1000mg/L.Compound6qpresentedthebestactivityagainstDigitariasanguinalis(L)Scop.,AmaranthusretroflexusL.andArabidopsisthalianawithaninhibitiondegreeoffive.Compound6dalsoshowedaninhibitiondegreeoffiveagainstD.sanguinalis.Inaddition,at50mg/L,mostcompoundsexhibitedgoodinvitroantifungalactivityagainstSclerotiniasclerotiorum,withcompound6cshowingover90%antifungalactivityagainstS.sclerotiorumandPelliculariasasakii.

  • 标签: 酰胺衍生物 生物活性 设计合成 除草活性化合物 抗真菌活性 油菜菌核病
  • 简介:Co-electrolysisofCO2andH2Ousinghigh-temperaturesolidoxideelectrolysiscells(SOECs)intovaluablechemicalshasattractedgreatattentionsrecentlyduetothehighconversionandenergyefficiency,whichprovidesopportunitiesofreducingCO2emission,mitigatingglobalwarmingandstoringintermittentrenewableenergies.AsingleSOECtypicallyconsistsofanionconductingelectrolyte,ananodeandacathodewheretheco-electrolysisreactiontakesplace.Thehighoperatingtemperatureanddifficultactivatedcarbon-oxygendouble-bondofCO2putforwardstrictrequirementsforSOECcathode.Greateffortsarebeingdevotedtodevelopsuitablecathodematerialswithhighcatalyticactivityandexcellentlong-termstabilityforCO2/H2Oelectro-reduction.Thesofarcathodematerialdevelopmentisthekeypointofthisreviewandalternativestrategiesofhigh-performancecathodematerialpreparationisproposed.UnderstandingthemechanismofCO2/H2Oelectro-reductionisbeneficialtohighlyactivecathodedesignandoptimization.Thusthepossiblereactionmechanismisalsodiscussed.Especially,amethodincombinationwithelectrochemicalimpedancespectroscopy(EIS)measurement,distributionfunctionsofrelaxationtimes(DRT)calculation,complexnonlinearleastsquare(CNLS)fittingandoperandoambientpressureX-rayphotoelectronspectroscopy(APXPS)characterizationisintroducedtocorrectlydisclosethereactionmechanismofCO2/H2Oco-electrolysis.Finally,differentreactionmodesoftheCO2/H2OcoelectrolysisinSOECsaresummarizedtooffernewstrategiestoenhancetheCO2conversion.Otherwise,developingSOECsoperatingat300-600°CcanintegratetheelectrochemicalreductionandtheFischer-TropschreactiontoconverttheCO2/H2Ointomorevaluablechemicals,whichwillbeanewresearchdirectioninthefuture.

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  • 简介:H+-restackednanosheetsandnanoscrollspeeledfromK4Nb6O17displaydifferentstructuresandsurfacecharacters.Thetworestackedsampleswithincreasedsurfaceareashaveanamazingvisible-lightresponseforthephotodegradationofdyes,whichissuperiortocommercialTiO2(P25)andNb2O5.Bycomparison,H+/nanosheetshavearelativelyfasterphotodegradationrateoriginatedfromlargeandsmoothbasalplane.Theworkrevealsthatdyeadsorbedontheunfoldednanosheetscaneffectivelyharvestsunlight.Duetofacilepreparation,low-costandhighphotocatalyticefficiency,H+/nanosheetsandH+/nanoscrollsmightbeusedforthevisiblelight-drivendegradationoforganicdyesasasubstituteforTiO2inindustry.

  • 标签: 可见光降解 染料吸附 纳米 堆栈 压入 可见光响应
  • 简介:存取2-substituted-N1-carbethoxy-2,3-dihydro-4(1H)的一条灵巧、有效、新奇的途径-quinazolinones是被代替的N-carbethoxyanthranilamide的冷凝作用用p-toluenesulfonic酸在refluxing2,2,2-trifluoroethanol或hexafluoroisopropanol与烷基,aromatic或异种aromatic醛开发催化剂。

  • 标签: 三氟乙醇 六氟异丙醇 氟溶剂 溶剂效应 喹啉氮杂化合物
  • 简介:为了将模拟结果应用于评价动态内载荷壳体的激光辐照效应,采用理论分析方法研究了模拟中的相似性问题,给出了飞行动态环境的模拟相似性原则、激光参数的模拟相似性原则和试件大小的模拟相似性原则.对飞行环境效应的模拟,要考虑壳壁气动加热和氧化效应;对光斑半径的模拟,若满足/πkt<r0≤0.5R条件,则壳壁最高温度近似与光斑半径无关,并且对爆裂破坏模式,光斑半径还要满足热裂纹失稳扩展条件;对壳体试件的模拟,采用近几何相似缩比(大小缩比而壁厚不变),缩比率在1/5~1时可以用非线性拟合表征损伤关系.

  • 标签: 激光应用 相似性模拟准则 内压载荷柱壳 飞行环境 光斑尺寸 缩比试件
  • 简介:TostudytheintramolecularDiels-Aldercycloadditonof2H-chromen-2-oneasadiene,aseriesofchiralN-allyl-N-benzylamidesthatcontaina2H-chromen-2-onemoietyweredesignedforthesynthesisofbenzo[f]isoindol-l-onesviaanintramolecularDiels-Alderandasubsequentretro-Diels-AldercycloadditionwiththeexpulsionofCO2.Boththeyield(80%-89%)andabsolutestereocontrolofthetandemreactionwerehighwhenanelectron-withdrawinggroupwasattachedtothedienophile.Thedoublebondinthestyrenesubstructureremainedintheproductscouldbefurtherderivatizedbydihydroxylation.

  • 标签: 环加成反应 串联反应 二烯烃 CO2 分子内 吸电子基团
  • 简介:有代替的吲哚的o-alkynylbenzaldehydes或o-alkynylbenzaldimines的催化双人脚踏车反应由羰基或imine组的吲哚的分子间的增加开始了的Pd(II)由intramolecular炔属羟的nucleopalladation列在后面,由protonolysis熄灭碳钯契约改革Pd(II)种类被开发。没有一个氧化还原作用系统的必要性,反应能在温和条件下面被执行。

  • 标签: 串联反应 催化合成 吲哚 OAC 氧化还原系统
  • 简介:以4-[(8-羟基-5-喹啉)偶氮]-苯磺酸与氯化钴为原料,采用溶剂热法通过原位反应合成{[Co(5-氨基-8-羟基喹啉)_2]·H_2O}_n,并通过X-射线单晶衍射方法确定了该配合物的晶体结构.结构分析表明:标题配合物属于斜方晶系,Pbcn空间群,晶胞参数a=1.321(2)nm,b=0.811(2)nm,c=1.511(2)nm,α=β=γ=90.00°,V=1.619(3)nm~3,Z=4,R_1=0.0516,wR_2=0.1025.配合物中存在ππ堆积相互作用和氢键作用,将配合物连接形成三维超分子网络结构.

  • 标签: Co(Ⅱ)配合物 氢键 π…π堆积 超分子