简介：合成了通式为K10H5[Ln(PMo7W2VO39)2].nH2O(Ln-La^3+,Ce^3+,Pr^3+,Nd^3+,Sm^3+,Eu^3+,Gd^3+,Dy^3+,Yb^3)的9种五元新型杂多配合物，并用元素化学分析，TG，ICP，IR，UV，31^1P,51V-NMR,ESR,XPS,XRD进行了表征，结果表明新配合物仍保持Keggin结构，稀土元素处于配合物的内界。借助TG－DTA，不同温度下的IR，XRD的水溶性实验考察了新配合物的热解性质，得出了热稳定的温度范围为400℃-500℃，为催化研究提供了依据。

简介：Theequilibriumgeometries,relativestabilities,andelectronicpropertiesofMnAgm(M=Na,Li;n+m≤7)aswellaspureAgn,Nan,Lin(n≤7)clustersaresystematicallyinvestigatedbymeansofthedensityfunctionaltheory.Theoptimizedgeometriesrevealthatfor2≤n≤7,therearesignificantsimilaritiesingeometryamongpureAgn,Nan,andLinclusters,andthetransitionsfromplanartothree-dimensionalconfigurationsoccuratn=7,7,and6,respectively.Incontrast,thefirstthree-dimensional(3D)structuresareobservedatn+m=5forbothNanAgmandLinAgmclusters.Whenn+m≥5,astrikingfeatureisthatthetrigonalbipyramidbecomesthemainsubunitofLinAgm.Furthermore,dramaticodd-evenalternativebehavioursareobtainedinthefragmentationenergies,secondorderdifferenceenergies,highestoccupiedandlowestunoccupiedmolecularorbitalenergygaps,andchemicalhardnessforbothpureanddopedclusters.Theanalyticresultsexhibitthatclusterswithanevenelectronicconfiguration(2,4,6)possesstheweakestchemicalreactivityandmoreenhancedstability.

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简介：建立了测定金鸡胶囊中Ca、Mg、Mn、Fe、Cu、Zn和Sr7种无机元素含量的分析方法。采用浓硝酸和高氯酸（8＋2）的混合酸溶解样品，利用电感耦合等离子体原子发射光谱法（ICP—AES）对各种元素进行测定。金鸡胶囊含有丰富的对人体有益的无机元素，对待测样品的测定结果表明，Ca、Mg、Fe、Mn、Zn、Sr和Cu的含量分别为16356．00、8525．00、714．30、234．70、52．49、34．69和20．70μg／g。各元素的回收率在95．5％～104．8％之间（n=3），相对标准偏差RSD在1．4％～6．2％之间（n=6）。该方法简便、快速，测定结果准确可靠，可用于中成药中多元素的同时测定。

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简介：Theneworganic-inorganiccompound,[C_6H_7N_2O_2]_3TeCl_5·2Clwassynthesizedanditsstructurewasdeterminedatroomtemperatureinthetriclinicsystem(P~-1)withthefollowingparameters:a=10.5330(11)?,b=10.6663(11)?,c=15.9751(16)?,α=82.090(2)°,β=71.193(2)°,γ=68.284(2)°andZ=2.ThefinalcycleofrefinementledtoR=0.057andRw=0.149.ThecrystalstructurewasstabilizedbyanextensivenetworkofN--H···Clandnon-classicalC--H···Clhydrogenbondsbetweenthecationandtheanionicgroup.Severalthermalanalysistechniquessuchasthermogravimetricanalysis,differentialscanningcalorimetricanalysisandevolvedgasanalysiswereused.Weusedisoconversionalkineticsmethodstodeterminethekineticsparameters.Weobservethatthedecompositionof[C_6H_7N_2O_2]_3TeCl_5·2Clentailstheformationhydrochloricacidofnitroanilineasvolatiles.Theinfraredspectrawererecordedinthe4000–400cm~(-1)frequencyregion.TheRamanspectrawererecordedintheexternalregionoftheanionicsublatticevibration50–1500cm~(-1).TheopticalbandgapwascalculatedfromtheUV-VisabsorbancespectrausingclassicalTaucrelationwhichwasfoundtobe3.12and3.67eV.

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简介：Alariatcrownetherligand7,16-bis(2-hydroxy-5-methylbenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadeeane(L1)hasbeenpreparedviaone-potMannichreaction.Itscopper(Ⅱ)complexCu-L1wassynthesizedandcharacterizedbyelementalanalysis,IRandUV-visiblespectroscopy.ThecrystalstructureofthecomplexhasbeendeterminedbyX-raydiffractionanalysis.Theresultshowsthatthecopper(Ⅱ)ionissix-coordinatedbytwonitrogenandfouroxygenatoms,twofromthecrownetherandtheothertwofromthedeprotonatedphenolateanions,forminganelongatedoctahedralcomplex.ElectrochemicalstudyindicatesthatthecomplexundergoesreversiblereductioninDMFsolution.

简介：3-(2-Hydroxyphenyl)-6-(4-nitrophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine,C16H11N5O3S,waspreparedbythecyclizationof3-(2-hydroxyphenyl)-4-amino-5-mercapto-1,2,4-triazolewith2-bromo-4-nitroacetophenone.Thecompoundwascharacterizedbymeansofelementalanalysis,IR,1HNMR,13CNMR,massspectrometry,andX-raydiffraction.ThecompoundcrystallizesinamonoclinicsystemwithspacegroupCc,a=2.1853(4)nm,b=2.1192(5)nm,c=1.3526(3)nm,β=95.21(2)°,V=6.238(2)nm3,Dcalcd.=1.505Mg/m3,Z=16,F(000)=2916,R1=0.0501,wR2=0.0427.Acomparisonbetweenthecrystalstructuresof1,2,4-triazolo[3,4-b][1,3,4]thiadiazineand1,2,4-triazolo[3,4-b][1,3,4]thiadiazolewasmadeinthestructuralview.Atwo-dimensionalnetworkisformedbyhydrogenbondsandπ-πstackinginteractions.

简介：在常规条件下合成了一种新型的氨基酸功能化的多金属氧酸盐化合物[（Gly）2（H2O）2Cu]K3[Al（OH）6Mo6O18]·7H2O，并通过元素分析、红外光谱、紫外可见光谱、热重分析和X射线单晶衍射等方法对其晶体结构进行了表征．结构分析表明：该晶体属于三斜晶系，Pi空间群，晶胞参数a=0．81053（16）nm，b=1．1394（2）nm，c=1．8247（4）nm，α=93．96（3）°，β=92．89（3）°，γ=108．90（3）°，V=1．5858（5）nm^3，Z=2．

简介：Tetrabutylammoniumorpotassiumsaltsoforganometalllicderivativesoflacunarypolyanion(RM)3P2W15O59^n-(RM=CpTi,CpZr,C4H7O2SnorC5H9O2Sn)havebeenpreparedandstructurallycharacterizedbyelementalanalysis,IR,UV-Vis,^1HNMRand^183WNMRspectroscopies.Thetitlecomplexesexhibitantitumoractivityinvitro.

简介：用离子交换法将具有Keggin结构TBA4H3PW7Mo3Cu2O38（H2O）2（M=Fe2＋，Co2＋，Cu2＋，Ni2＋和Mn2＋）嵌入到Zn2A1黏土中，得到层状化合物LDH-PW7Mo3Cu2O38（H2O）2（M=Fe2＋，Co2＋，Cu2＋，Ni2＋和Mn2＋），并用XRD，IR，uV对其进行了表征．结果表明：杂多阴离子进入黏土后，仍保留了其Keggin结构．利用合成的层状化合物为催化剂，以顺丁烯二酸与HzO。的环氧化反应为模型反应考察其催化活性，结果表明：层状化合物在环氧化反应中显示优良的催化性能．

简介：标题化合物（C30H35N3）以4-甲基苯甲醛、环十二酮和3-甲基-1-苯基-1H-吡唑-5-胺,在三氟乙酸和醋酸的作用下,经微波辐射合成得到.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/c,相对分子质量Mr=437.61,晶胞参数a=1.08926（11）nm,b=2.1927（2）nm,c=1.04954（14）nm,V=2.4641（5）nm3,Z=4,晶胞密度Dc=1.180g/m3,吸收系数μ=0.069mm-1,单胞中电子的数目F（000）=944.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R=0.0468,ωR=0.0905.在晶体结构中新形成的吡啶环为共平面结构.