简介：用连续流动分析仪测定水溶肥中氧化钾含量，并与农业部规定的标准分析方法(NY/T1977—2010)结果进行比较，结果表明，样品溶液中氧化钾在0～400mg/L范围内线性良好，相关系数r=0.9995，与四苯硼酸钾重量法结果比对结果接近，绝对偏差小于0.23%，准确度高，加标回收率在98.2%～101%，重现性良好，10次重复测定相对标准偏差为0.22%，可用于水溶肥中氧化钾的分析测定。

简介：Anewseriesofliquidcrystalscomprisingeightheterocyclicisoflavoneesters,7-alkanoyloxy-3-[4’-(3-methylbutyloxyphenyl)]-4H-1-benzopyran-4-onesexhibitingenantiotropicnematic(N)andsmecticC(SmC)phasesweresynthesizedandinvestigated.Themesomorphicpropertiesofallderivativeswereinvestigatedbymeansofdifferentialcalorimetryandpolarizedopticalmicroscopy.WideangleX-raydiffractiontechniquewasemployedtoinvestigatethemolecularpackingassociatedwiththeintermolecularinteractionaswellasthecorrelationbetweenthethermalbehaviourofthesecompoundswiththeiranisotropypropertieswithinamesophase.

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简介：Auranylcompound,K4UO2（CO3）3hasbeencharacterizedbypowderX-raydiffractionmethod.M.W.=606.46,monoclinic,C2/c（No.15）,a=1.0240（7）,b=0.9198（4）,c=1.2222（12）nm,β=95.12（4）°,V=1.1466（5）nm3,Z=4,Dm=3.468g/cm3,Dc=3.513g/cm,λ（CuKα1）=O.1540598nm,T=298K.ThestructurewassolvedbyheavyatommethodandFouriersynthesis,andrefinedbyfull-matrixleast-squaresmethodtoR=0.1185for275reflections.Theuranium（Ⅵ）atomisinaneight-coordinatedistortedhexagonal-bipyramidalenvironmentwithcreasyfanshape.Thelinearuranylgroupapproachestoperpendiculartotheequatorialplaneinwhichthreecarbonategroupsarechelated.U（Ⅵ）hastwolinearoxygenatomsclosertoit（U-O=0.1767（5）nm）thansixotherneighbours（U-Orangingfrom0.2516to0.2568nm）.Thedistancesbetweencarbonatomsanduncoordinatedoxygenatomsare0.122（1）and0.123（1）nm,whicharedistinctlydifferentfromthosebetweencarbonandcoordinatedoxygenatoms（mean0.134（6）nm）.Thisfactrevealsthenon-eq-uivalenceofoneoxygenatomtotheothertwoineachcarbonate.InK4UO2（CO3）3,theO-Odis-tancefortheadjacentcarbonategroupsis0.2794（4）nmapproachingtothesumofVanderWaalsradiioftwooxygenatoms.TheK-Odistancesvarybetween0.2667and0.3131nm,andeachanionisimmediatelysurroundedbysixpotassiumions,onlyfourofwhichcanbeconsideredtobelongtothesamestructuralformulaunit,andtheyaresymmetricallylocatedaboveandbelowtheequatorialplane.

简介：应用量子化学ＤＶＸα方法对钌系氰氯络合物进行了系统的理论计算和解析，确定了相应的稳定几何形态和微观电子结构，为合成、应用和深入研究它们的性能提供了重要的理论依据．

简介：表面等离子共振仪是测量生物分子间交互作用最为有效的手段之一,但多数实验数据是在不精确的实验设计下获得的,通过对用传统方法来优化试验设计、提高仪器灵敏度进行了总结,并对获得精确蛋白质相互作用动力学信息的新方法进行了讨论.

简介：对采用全自动凯氏定氮仪测定干旱区土壤全氮量的方法以及实验中影响因素进行了研究,对消解时间和硫酸用量进行了选择性实验,结果表明,土壤中有机物在30min时消解完全,硫酸用量在10～15mL时为最佳,干旱区土壤中氮一般含量为（0.260±0.003）％（P=0.95）.方法的相对标准偏差（RSD）≤1％,用来测定硫酸铵标准物质,其检测结果与标准值基本吻合,检测的准确度和精密度都符合国家标准的要求.

简介：AnovelcrystalcharacterizationinstrumenthasbeenbuiltupinwhichacombinationofX-raymultiplediffractionandX-raytopographyisappliedtoenablingthecross-correlationbetweenmicro-crystallographicsymmetryanditsspatialdependenceinrelationtolatticedefects.Thisfacilityisusedtoexamine,inaselfconsistentmanner,growthsector-dependantchangestoboththecrystallographicstructureandthelatticedefectsassociatedwiththeactionofhabit-modifyingadditivesinanumberofrepresentativecrystalgrowthsystems.Inaddition,thenewinstrumentcanbeusedtoprobemicro-crystallographicaspects(suchasdistortiontocrystalsymmetry)andrelatetheseinaspatiallyresolvedmannertothecrystaldefectstructureincrystalsdopedwithknownhabitmodifiers.

简介：有壳核心结构的polystyrene/Fe3O4的合成nanoparticles在三重氢核X-100和SDBS的混合系统被准备。合成nanoparticles的壳被Fe3O4nanoparticles被聚苯乙烯和核心形成。Fe3O4nanoparticles的直径是大约10nm和合成nanoparticles25-35nm的。XRD系列和FTIR系列证明与Fe3O4nanoparticles聚苯乙烯包是成功的。

简介：Aseriesoftitlecompoundsaswellastheirprecursorsweresynthesizedbyprecursorroute.TheirPXRDpatternswerecharacterizedwithZrW2O8orZrMo2O8modelbyRietveldmethod.Thethermalcontractionsofthecompoundsweredeterminedaccordingtothevariable-temperaturePXRDdataandNTEcoefficientswerepresented.Thetwo-phasemixtureofZrW0.4Mo1.6O8wasalsoanalyzedindividually.

简介：ThehydrolysisofcephanoneinTritonX-100micelleandTritonX-100/n-C5H11OH/H2O(O/W)microemulsionwerestudiedbymeansofUV-Visabsorptionspectroscopy.Theresultsshowthatcomparedwithwater,TritonX-100micelleandTritonX-100/n-C5H11OH/H2O(O/W)microemulsioncaninhibitthehydrolysisofcephanone.TheinhibitioneffectsofTritonX-100micelleandTritonX-100/n-C5H11OH/H2O(O/W)microemulsiononthehydrolysisofcephanonearerelatedtothelocationofcephanoneintheinterphasesofTritonX-100micellesandTritonX-100/n-C5H11OH/H2O(O/W)microemulsiondroplets.

简介：在MP2/6-311＋＋G＊＊水平上优化乙烯酮自由基与LiX（X=F,Cl,Br）形成锂键复合物.当卤素的电负性很强（如F元素）,使得Li原子处于缺电子状态,此时,电子给体会把电子偏移向锂,形成共价性较强的锂键.而当卤素的电负性减弱时,锂键中主要成分逐渐变为离子键,并且此时锂键性质还要受电子给体影响.另外,由于HCCO为缺电子结构,电负性较弱且体积较大的卤素中的孤对电子会与HCCO之间通过静电相互作用,使得HCCO…Li—X键夹角变小,接近120°.锂键性质对HCCO…LiX（X=F,Cl,Br）复合物中Li—X的伸缩振动频率有直接影响.当锂键表现为共价性时,该频率红移,而当锂键表现为离子性时,该频率蓝移.但是,由于Cl的电负性与O的接近,C的电负性与Br接近所以,在O…Li…Cl和C…Li…Br中容易形成共振结构,导致远大于在其他复合物中的红移.

简介：ThecatalyticactivitiesofMnOx-WO3/TiO2forselectivecatalyticreduction(SCR)ofNOwithNH3wereinvestigatedinawiderangeoftemperatureandreactioncondition.ItyieldedaNOxconversionof80.3%-99.6%andaN2productselectivityof100%-98.7%during100°Cto350°Catgashourlyspacevelocity(GHSV)=18900h-1.Inthepresenceof0.01%SO2and6%H2Oat120°C,theNOxconversioncanmaintain98.5%.At300°Candwith0.07%SO2inreactantstream,theNOxconversionstabilizedat99%ashighasthecommercialV-W/TiO2catalyst'slevel.Thesteady-statekineticsstudyshowsthatO2playedapromotingrole.Inthepresenceoflessthan1.5%O2,NOxconversioncanincreasesharplywiththeincreaseofO2concentration.ThereactionorderwaszerowithrespecttoNH3andfirstwithrespecttoNOwithexcessO2andH2O.Thekineticsactiveenergy(Ea)ofMn-W/TiO2wascalculatedtobe6.24kJ/molaccordingtothekineticexperimentatvarioustemperatures,muchlowerthanthoseofothercatalystsreportedintheliterature.Mn-W/TiO2isanexcellentcatalystforSCRofNOwithNH3bynow.

简介：Twoseriesofmixedoxides,CoAlMandMgAlM(M=Cr,Mn,Fe,Co,Ni,Cu),werepreparedbycalciningtheircorrespondinghydrotalcite-likecompounds(HTLc).TheratioofMg:Al:M(orCo:Al:M)was3:1:1.ThecatalyticactivityofallsamplesforthereactionofNO+COwasinvestigated.TheresultsshowedthattheactivityofCoAlMwasmuchhigherthanthatofMgAlM.ThestructureandthepropertyofredoxwerecharacterizedbyXRDandH2-TPR.TheresultsindicatedthatonlyMgOphasewasobservedaftercalciningMgAlMhydrotalcites,andthetransitionmetalsbecamemorestable.Thespinel-likephaseappearedinallofCoAlMsamplesafterthecalcination,andthetransitionmetalswerechangedtobemoreactive,andeasilyreduced.TheactivitiesofthreeseriesofmixedoxidesCoAlCuobtainedfromdifferentpreparationmethods,differentratioofCo:Al:Cuandatdifferentcalcinationtemperatures,werestudiedindetailforproposingthemechanismofreaction.TheabilityofadsorptionofNOandCO

简介：采用密度泛函方法(B3LYP)优化了MX2(AsH3)2[M=Pd;X=Cl(1),Br(2),I(3)和M=Pt;X=Cl(4),Br(5),I(6)]的基态结构,得到的几何参数与实验结果符合.以基态几何为基础,将TD-DFT方法用于计算标题配合物的电子吸收光谱.研究结果表明,金属的dx2-y2与配体所组成的反键轨道为LUMO轨道,从而该类配合物具有d-d跃迁属性的吸收带;在多数跃迁过程中,配体也有较大的贡献.

简介：PolycrystallinesBi0.5Ca0.5–xLaxFe0.3Mn0.7O3(x=0,0.05,0.10,0.15,0.20,0.25)werepreparedbymoltensaltmethodandshowedperovskiteorthorhombicstructurewithspacegroupPnma.Themagneticmeasurementsindicatethatthecompoundsexhibitantiferromagneticbehaviorinatemperaturerangeof4―300K.ThemeasurementsoftransportpropertiessuggestthatthesubstitutionofLaforCaenhancedtheconductivity,andakinkappearedonthecurveoftemperaturedependenceofresistivityat275K,whichisrelatedtothespin-reorientationinthesamples.

简介：提出了一种求解离子晶体等价格点的单粒子离子Dirac方程方法，确定离子晶体的点电荷电量。利用阴阳离子上分配的价电子数之比，给出了计算离子晶体化学键性质的关单式计算了MX（M=Li、Na、K、Rb、X=F、Cl、Br、I）系列晶体点电产电量值和化学键性质，得到了比较好的结果

简介：Tris)(η5-cyclopentadienyl-μ-carbonyl-iron)-μ3-nitrosylclusterwasobtainedfromthereactionofcyclopentadienyldicarbonylirondimerwithnitrogenmonoxideinxylene.Theclusterwascharacterizedbyelementalanalyses,IR,MSand1HNMR.Thecrystalstructureof[(η5-C5H5)(μ-CO)Fe]3(μ3-NO).C4H8OwasdeterminedbyX-raydiffractionanalysis.ItcrystallizesintheorthorhombicspacegroupPnma,a=9.053(2),6=10.545(2),c=22.525(4)A,V=2150.3(7)A3,Z=4,Dc=1.68g.cm-3;structuresolutionandrefinementbasedon1141reflectionswithI>3.0(I)(MoKa,A=0.71073A)convergedatR=0.0540.Theinfraredabsorptionbandat1325cm-1oftheμ3-NOinthecluster,whichisredshifted,showsthatμ3-NOisactivated.