简介:Li4Ti5O12(LTO)/carbonnanotubes(CNTs)compositematerialissynthesizedbasedonasolid-statemethodbysand-milling,spray-dryingandcalciningat8508CunderN2flow.TheLTO/CNTssampleswith1wt%and3wt%weightratioofCNTsadditionandthepristineLTOsampleareprepared.TherateperformanceandthethermalstabilityofthesesamplesareinvestigatedbasedonLiMn2O4(LMO)/LTOfull-cell.TheresultsshowthattheweightratioofCNTsadditionhasdistincteffectonLTOperformances.ThecompositematerialsofLTOcompositedCNTshavebetterperformanceathigh-rateduetotheintercalationenhancementbyconductivenetworkofCNTs.Atsecond,theoverchargingtemperatureresponseofthecell’ssurfacewith1wt%CNTsadditionisthelowest.Theparticlesizedistributionismeasuredandthemostuniformparticlesareobtainedwith1wt%CNTsaddition.ThistrendcouldexplainthatthemediumquantityofCNTsisoptimaltoimprovetheheatandmasstransferandpreventtheproblemsofcrystallitegrowinginterferenceandaggregationduringthecalcinationprocess.
简介:标题化合物(C24H16N4S)以噻吩-2-甲醛、苯甲酰乙腈和3-甲基-1-苯基-1H-吡唑-5-胺为原料,在离子液体[bmim]Br溶剂中,在80℃搅拌合成得到.其结构通过单晶X射线衍射法确定,晶体属于三斜晶系,空间群P-1,相对分子质量Mr=392.47,晶胞参数a=0.93612(8)nm,b=1.03063(12)nm,c=1.16624(16)nm,V=0.96853(19)nm3,Z=2,晶胞密度Dc=1.346g/cm3,吸收系数μ=0.185mm-1,单胞中电子的数目F(000)=408.晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子R=0.0585,wR=0.1337.在晶体结构中新形成的吡啶环与吡唑环近似于共平面结构.
简介:AsimpleandefficientcascadeMichael/cyclizationreactionof3-aminoindolin-2-oneswithenones/enalswasidentifiedforthesynthesisofpotentiallybiologicallyactive3’,4’-dihydrospiro[pyrrol-3,2’-oxindoles],usingDBUasanefficientcatalystandethyleneglycolasanenvironmentallybenignsolvent.Morediverse3’,4’-dihydrospiro[pyrrol-3,2’-oxindoles]analoglibrarieswerepreparedingoodyields(upto97%).Thestructureof3’,4’-dihydrospiro[pyrrol-3,2’-oxindoles]wasconfirmedbymassspectrometryanalysis,NMRanalysisandsinglecrystalX-raydiffraction.Themainadvantagesofthismethodincludetheavailabilityofstartingmaterials,simpleexperimentaloperation,shortreactiontime,aswellashighyieldsobserved.
简介:标题化合物C26H26O5以2,3-萘二甲醛和5-甲基-1,3-环己二酮为原料,在醋酸溶剂中,室温下经搅拌多组分一锅法合成得到.其结构通过单晶X-射线衍射法确定,晶体属单斜晶系,空间群P21,相对分子质量Mr=418.47,晶胞参数a=0.99004(8)nm,b=1.09098(9)nm,c=1.04246(11)nm,V=1.08753(17)nm3,Z=2,晶胞密度Dc=1.278g/cm3,吸收系数μ=0.088mm-1,单胞中电子的数目F(000)=444.晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子为R1=0.0533,wR2=0.1293.在晶体结构中新形成的吡喃环为半椅式构象,而茚中五元环则为信封式构象.
简介:Onenovelorganic-inorganichybridsupramolecularassemblies|(NDPA)(18-crown-6)]2+(DMA)+·3ClO4-(1),hasbeensuccessfullyconstructedthroughtheprominentstrategiesofcrystalengineering(NDPA=N,N-dimethyI-1,4-phenylenediamine,DMA=dimethylamine),andcharacterizedbyIR,powderXRDandsinglecrystalX-raydiffraction.Inthestructure,thesupramolecularorganiccationsandinorganicClO4-anionsarearrangedalternatelyandlinkedbyN-O…Hhydrogenbonds.ItisworthytonotethattheClO4-arelinkedtoformone-dimensionalinorganicchainthroughstrongNH…Ohydrogenbondsalongb-axis.Thereisnodistinctdielectricanomalyinthetemperaturedependentandfrequency-dependentdielectricconstantcurves,suggestingthatnophasetransitionexistswithinthemeasuredtemperaturerange(120-420K).Therelativedisplacementofcationsandanions,theturnedpolarizationofmolecularelectricmomentandmacrocyclicmoleculerotatorarethemainfactorstodeterminethetrendofdielectricconstant.
简介:采用一种新型燃烧剂抗坏血酸,燃烧法快速制备铁酸钴的复合氧化物.经XRD考察硝酸铁和硝酸钴摩尔比对复合氧化物的影响,电镜表征复合氧化物的形貌、BET表征复合氧化物的比表面积以及紫外表征复合氧化物的紫外吸收性能.以甲基橙为目标降解物对铁酸钴的复合氧化物进行光催化研究.考察了溶液酸度、光照时间、催化剂用量和双氧水用量等条件对光催化效果的影响.最佳光催化条件:当Fe(NO3)3,Co(NO3)3和抗坏血酸的物质的量比为1∶2∶1时所制备的铁酸钴复合氧化物,催化剂用量为200mg/L,溶液的酸度为pH=6;脱色的最佳条件为当Fe(NO3)3,Co(NO3)3和抗坏血酸的物质的量比为1∶3∶1时所制备的复合氧化物,催化剂用量为100mg/L时,pH=4;复合氧化物还对六价铬的吸附率为58%,对铅的吸附率为45%.
简介:利用水热法合成了2个新的对咪唑基苯甲酸镉配合物Cd(C10N2O2H7)2·H2O(1)和Cd2(H2O)5(C10N2O2H7)(C9O6H3)·4H2O(2),通过元素分析、红外光谱和X-射线单晶衍射进行了表征.结果表明:化合物1属于正交晶系,Pnna空间群,a=1.3895(5)nm,b=1.6654(5)nm,c=0.8282(5)nm,V=1.9165(15)nm3,Z=4,R1=0.0263,wR2=0.0793;化合物2属于单斜晶系,P21/c空间群,晶胞参数a=1.3702nm,b=1.7511nm,c=1.2557(4)nm,β=114.819(6)°,V=2.7346(14)nm3,Z=4,R1=0.0573,wR2=0.1667.
简介:综合运用密度泛函理论、分子力学、统计学及比较分子力场分析等方法研究了抗肿瘤药物5,8-二甲基乙酰紫草素衍生物的二维(2D)、三维(3D)定量构效关系(QSAR).所建最优2D-QSAR方程的交叉验证系数(q^2)和拟合相关系数(R^2)分别为0.618和0.736.CoMFA模型的q^2和非交叉验证系数(r^2)分别为0.703和0.982,预测相关系数R^2pred为0.746.结果表明,所建立的2D/3D-QSAR模型都具有良好的统计学意义及合理、可信的预报能力,可以预测未知化合物的活性。基于此研究结果,设计了4个具有较高抗肿瘤活性的新化合物.
简介:4-(Succinimido)-1-butanesulfonicacidasanefficientandreusableBronstedacidcatalyzedthesynthesisofpyrano[4,3-b]pyranderivativesundersolvent-freeconditions.Thecatalystcanbepreparedbymixingsuccinimideand1,4-butanesultonethatismoresimpleandsaferthanthepreparationofsuccinimidesulfonicacid.Thismethodhastheadvantagesofhighyield,cleanreaction,simplemethodologyandshortreactiontime.Thecatalystcouldberecycledwithoutsignificantlossofactivity.