Synthesis,Structure and Adsorption of AlPO-21 Prepared by Co-template Method

IntroductionAlPO 2 1isatypeofmicroporousaluminophosphatepreparedbyFlanigenandco workersin 1982 ,andthestructurewasresolvedbySmithetal.1in 1984 .AlmostatthesametimePariseetal.2 preparedAlPO 2 1phasebyanotherrouteandresolvedthestructureindependently .Inthenextyear ,GaPO 2 1phasewasobtainedaswell.3Al thoughAl(Ga)PO 2 1phasespreparedindifferentwayspossesssimilarchannelsystem ,amongthemtherearestillsomedifferencesinlatticeconstants ,indicatingthatdiffer enttemplatemoleculescanaffectlocallythe…     

2000年全国高中学生化学竞赛决赛理论试题

相对原子质量H1 .0 0 8He4 .0 0 3L i6.94 1Be9.0 1 2B1 0 .81C1 2 .0 1N1 4 .0 1O1 6.0 0F1 9.0 0Ne2 0 .1 8Na2 2 .0 9Mg2 4 .3 1Al2 6.98Si2 8.0 9P3 0 .97S3 2 .0 7Cl3 5.4 5Ar3 9.95K3 9.1 0Ca4 0 .0 8Sc4 4.96Ti4 7.88V50 .94Cr52 .0 0Mn54.94Fe55.85Co58.93Ni58.69Cu63 .55Zn65.3 9Ga69.72Ge72 .61As74 .92Se78.96Br79.90Kr83 .80Rb85.4 7Sr87.62Y88.91Zr91 .2 2Nb92 .91Mo95.94Tc98.91Ru1 0 1 .1Rh1 0 2 .9Pd1 0 6.4Ag1 0 7.9Cd1 1 2 .4In1 1 4 .8Sn1 1 8.7Sb1 2 1 .8Te1 2 7.6I1 2 6.9Xe1 3 1 .3Cs1 3 2 .9…     

Ab Initio Study on the Thermal Isomerization from 1,2-Butadiene to1,3-Butadiene

1.IntroductionFromexperboentalstUdyonthepyrolysisofcyclOPropenel'],R.D.Kem`a1I'1assumedthattheisomerizaionfrom1,2-butadienetol,3-butadienewasastePwisereaCtionwhichproceedsintWostepsviaadiradicalintermediate.ThepresentpaPerisatheoreticalstUdytogiveanideaofitsstereochemicalprocessbymeansofabinitiomethods.2.Resultsanddiscussion2.lComputationalProcedureThegeometriesofthereacbot,thetransitionstates,theintermediateandtheproductfortheisomerhaonfroml,2-butadienetol,3-butadienewereoptAnizedatabin…     

Crystal Structure of Binuclear Manganese(Ⅲ) Complex with Schiff-base Ligand,〔Mn_2(C_(22)H_(22)N_2O_2)_2(EtOH)_2 (bipy)〕(ClO_4)_2

1INTRODUCTIONThecoordinationchemistryofmanganeseinthe 2, 3and 4oxidationstatesisreceivingconsiderableattentionduetothebio1ogicalimportanceoftheseions(1i.Anattractivesystemformode1ingthestructureandreactivityofsomemanganoenzymesisbinuclearMn(M)complexescontainingpolydentateSchiffbaseligands.Bothphotochemicalwateroxidationtogeneratedioxygen"'andacid-pro-motedhydrogenperoxideproductiont3ihavebeenreportedforsuchdimer.Wereportherethestructureofthetitlecomplex.2EXPERIMENTAL2.lSynthesisof…     

罗丹明6G合锌（Ⅱ）配合物的合成及晶体结构

合成了罗丹明 6G合锌 (Ⅱ )配合物 ,晶体结构分析结果表明配合物组成为 [C2 9H31N2 O2 ) 2 ZnCl4·H2 O] .晶体属三斜晶系 ,空间群P -1 (# 2 ) ,晶胞参数为a =1 .1 687(2 )nm ,b =1 .2 50 1 (5)nm ,c =2 .0 694 (5)nm ;α =99.1 3 (2 )°,β=1 0 0 .1 7(4 )°,γ =96.4 6(4 )°;Z =2 ,ρcal=1 .3 0 g/cm3.研究了配合物的摩尔电导、IR和荧光光谱、差热 -热重分析 .     

离子型化合物{[Ph2Sn]2[2,6-Py(CO2)2]3H2O}2-[HNEt3]+2 的合成及晶体结构研究

在三乙胺作碱的条件下 ,用三苯基氯化锡和 2 ,6 -吡啶二甲酸以 1∶ 1摩尔比反应 ,合成了离子型有机锡化合物 { [Ph2 Sn]2 [2 ,6 -Py( CO2 ) 2 ]3 H2 O} 2 - [HNEt3 ]+2 。用 X-射线单晶衍射测定了该化合物的晶体结构。化合物为单斜晶系 ,空间群 P2 1 /n,a=1 .70 73( 7) nm,b=1 .74 47( 7) nm,c=2 .4 333( 1 0 ) nm,β=1 0 9.6 94 ( 7)°,Z=4 ,V=6 .82 4 ( 5 ) nm3 ,Dx=1 .2 82 g/cm3 ,μ=0 .793mm- 1 ,F( 0 0 0 ) =2 6 96 ,R1 =0 .0 5 6 3,WR2 =0 .1 5 39。化合物中两个锡原子呈七配位畸变五角双锥构型     

A Convenient Approach to the Enantiopure (1S,2S,4S,5S)-and (1R,2S,4R,5S)-2,5-Bis(phenylmethyl)-1,4-diazabicyclo[2.2.2]-octane

Introduction1,4 Diazabicyclo[2 .2 .2 ]octane (DABCO)wasre portedtocatalyzeorganicreactionsduetoitsstrongbasici ty .1,2 Severalchiraltrans 2 ,3 disubstitutedDABCOshavebeensynthesizedandappliedtotheasymmetricBaylis Hillmanreaction3andvicinalhydroxylation .4ThefirstsynthesisofthetitlecompoundwasreportedbySoai5from (2S ,5S) bis(phenylmethyl)piperazine (1) ,asshowninScheme 1.Butthisprocedureislengthy ,andtheoverallyieldisnotsosatisfactory .Besides ,thereport edmethodforthepreparationof 1is…     

含双二苯基膦甲烷四核铜(Ⅰ)配合物的合成

室温合成了含双二苯基膦甲烷 (dppm)的四核铜 (Ⅰ)配合物 [Cu4 (C7H4 NO4 ) 2 (dppm) 4](NO3) 2(C7H4 NO4 为 2 ,6 二羧酸吡啶 ) ,研究了配合物的物理化学和光谱性质 ,晶体属三斜晶系 ,空间群P 1 ,a =1 .2 592 ( 3) ,b =1 .4 1 87( 4) ,c =1 .70 38( 3)nm ;α =1 0 2 .54( 2 ) ,β =95.4 1 ( 2 ) ,γ =90 .33( 2 )°;V =2 9567( 2 )nm3,Dc=1 .2 95g·cm-3 ,Z =1 ,R =0 .0 5472 ,Rw=0 .0 6773。     

国内化学类科技期刊影响因子排序

期刊名称影响因子期刊名称影响因子分析化学 0 .91 5电化学 0 .3 70分析试验室 0 .779化学学报 0 .3 4 0高等学校化学学报 0 .6 4 1色谱 0 .2 93分析科学学报 0 .6 1 3分子催化 0 .2 6 5催化学报 0 .5 2 2应用化学 0 .2 3 6化学通报 0 .5 1 9感光科学与光化学 0 .2 3 0高分子学报 0 .5 1 1结构化学 0 .2 2 2高分子通报 0 .471 Chin JPolym Sci 0 .2 1 7环境化学 0 .46 4化学试剂 0 .2 0 7分析测试学报 0 .3 99有机化学 0 .1 96燃料化学学报 0 .3 86 Chin Chem Lett 0 .1 47无机化学学报 0 .3 81分子科学学报 0 .1 0 9物理化学学报 0 .3 7…     

第33届国际化学奥林匹克竞赛理论试题答案

1 - 1　ｎ =3时波长λＬ 最长 ,对于Ｈｅ+ ,1¨ｅ =ＲＨ(112 - 1ｎ2 )¨ｅＬ=16 4 1.1 1- 2　 1¨ｅ =ＲＨ(112 - 1ｎ2 ) ;ｎ =2 ,3,4 ,…Ｅ =-ｈｃＲＨ=- 13 6ｅＶ1- 3　最低能量 =- 2 0 7× 133.6 =- 2 .82ｋｅＶ第一玻尔轨道半径 =0 .5 3/ 2 0 7=2 .6× 10 -3 1- 4　几率 =|ψ(ａｏ) |2 4πａｏ2 × 0 .0 0 1ａｏ=0 .0 0 4ｅ-2 =5 .4 1× 10 -41- 51- 6　 (ｉ) 4 .7ｅＶ　　 (ｉｉ) 17.6ｅＶ1- 7　电子亲和能 =- 13.6 - (- 14 .3) =0 .7ｅＶ1- 8　 (13.6 +2 7.2Ｚ2 ｅｆｆ=0 .7Ｚｅｆｆ=0 .72 - 1　磷酸二氢根 (Ｈ2 ＰＯ-4)的共轭碱是磷…     

水与受质子溶剂氢键作用的IR研究

一般认为,水与受质子溶剂通过氢键作用形成1:1和1:2缔合物: H_2O+S?H_2O.S (1) H_2O.S+S?H_2O._2S (2)文献报道了通过NMR和IR光谱等方法求得的各种有机溶剂与水作用的K_(11)和K_(12)值.S.O.Paul等观察了水在受质子溶剂中的IR谱图,将OH伸缩振动区域的吸收峰分解为四个峰并分别指定为1:1和对称1:2缔合物中水的吸收峰.对于二氧六环,四个峰位置分别为:Ⅰ.3653cm~(-1);Ⅱ.3622cm~(-1);Ⅲ.3580cm~(-1);Ⅳ.3509cm~(-1),指定峰Ⅰ、Ⅳ分别为1:1缔合物的非氢键合和氢键合OH伸缩振动吸收,峰Ⅱ、Ⅲ分别为对称1:2缔合物的反对称和     

非晶态NiP（B）／Al2O3催化一氧化碳，水和氧气合成过氧化氢

Hydrogenperoxideisagreenoxidantwithgreatpotentialformuchapplication .Thepresentproduc tionofhydrogen peroxiderequiressevereconditionsand generates pollutants .AlternativesynthesesarerequiredandthesynthesisofH2 O2 fromCO ,H2 OandO2 isverypromising .AsshowninEq(1) ,thesynthesisisthermodynamicallyfavored :CO +H2 O +O2 H2 O2 +CO2 (1)ΔG02 98=- 134kJ/mol　　ThereactionwasfirstreportedbyZudinetal[1]whousedpalladiumtriphenylphosphaneasacatalyst.Bianchietal[2 ] usedabiphasesystemforthesynthe …     

锂离子电池正极材料LiNi1/3Co1/3Mn1/3O2的制备及其电化学性能

以Ni1/3Co1/3Mn1/3(OH)2(2)和Li2CO3为原料,在空气气氛中,经过高温热处理工艺制备了高结晶度的锂离子电池正极材料LiNi1/3Co1/3Mn1/3O2(1)。正交试验确定最佳工艺条件为:2 0.3 mol,n(Li):n(2)=1.2,于950℃反应13 h。电化学性能研究结果表明,在2.7 V～4.6 V,电流密度16 mA.g-1时,1的首次放电比容量为203.4 mAh.g-1;经16 mA.g-1循环2次,32 mA.g-1循环9次,80 mA.g-1循环20次后放电比容量为164.1 mAh.g-1。     

Catalytic Hydrolysis of Lipophilic Amino Acid Esters by Metallomicelles as Carboxypeptidase A Models

Metallondcellesasthemodelofhydrolyticmetalloenzymes.havebegunrecently'.Exam-plesarethemetal-ioncomplexesoflipophilicinddazoles2andpyridines'co-ndcelledwithsurfactantS.Hereinwereportthecomplexesofanovelmacrocyclicl2-membereddioxotetradrineligandbearingbis-hydroxygroupsasfunctionalpendantSwhichcanmindcthecatalyticfunctionofcarboxypeptidaseAinndcellarmedia.2,6-Dioxo-l,4,7,lo-tetraazacyclo1(O.2Og,1.onuno1)'anddodecylglycidylether(O.54g,2.2nunol)'wererefluxedinEtOH(3OoInL)for24h.Thesolventwase…     

<燃料化学学报>在化学类科技期刊中的排名

(据中国科技信息研究所《中国科技期刊引证报告》1 998年数据 )期刊名称 被引频次(名次 )影响因子(名次 )即年指标(名次 )基金论文比例( % ) (名次 )被引半衰期(年 ) (名次 )分析试验室 936( 3) 1 .0 85( 1 ) 0 .1 34( 3) 2 4 .2 ( 2 4 ) 3.8( 1 6)分析化学 2 388( 1 ) 1 .0 0 3( 2 ) 0 .1 71 ( 1 ) 45.2 ( 1 5) 4.9( 6)色谱 490 ( 6) 0 .692 ( 3) 0 .0 4 2 ( 1 8) 36.9( 2 0 ) 3.1 ( 2 1 )分析测试学报 344( 1 3) 0 .597( 4 ) 0 .1 2 2 ( 5) 39.1 ( 1 9) 3.0 ( 2 2 )环境化学 433( 8) 0 .582 ( 5) 0 .1 1 4( 7) 61 .0 ( 1 0 ) 5.3( 5)分析…     

Studies on Agarofurans Ⅰ. New Synthesis of Nor-Ketoagarofuran and 4-Hydroxydihydroagarofuran

Nor-ketmpofuran(1)and4hydroxydih~(2)areboofthehanoidsisoatedfrOIn~~oil,~nedfromthetwinfectedPlanAguiIboaagaIIOCaROxb(1).AlthoUgbtheSynthesisOfnor-ket-ran(1)hasthendescrind'),itishighlyrestriCtedtyitsPr~r,p-grofiiran.ThebiOaCtivityofmp-onthenervous-SystemhasbenfoundQ).Nor-ketOagarOfuran(1)InayalsoPOSSeSshi~vity,anditisaedintermAnatefOrfurthermedcation.Thusitwasdeemedwerth-chletOsearhfOrnewroUtestonor-ket~ran(1).Schemel.afM-CPBA,CH-2Cl2,btLmEtO,cfPCC,ChiCl2,d'LmAlC1$EtOOUr…     

BaF2/La2O3催化剂上甲烷氧化偶联反应活性氧物种的原位红外光谱

用原位红外光谱研究了BaF2/La2O3催化剂上甲烷氧化偶联反应的活性氧物种.结果表明,催化剂经O2预吸附后,在1 108~1 118 cm-1处出现超氧物种O2-的O-O键伸缩振动峰.经18O2同位素交换实验后,原1 108~1 118 cm-1处谱峰的强度减弱,同时在1 086和1 051 cm-1处出现(O18O)-物种和18O2-物种的吸收峰.同位素交换实验进一步确证了1 108~1 118cm-1处谱峰确为O2-物种的吸收峰.在700℃下,O2-物种能够活化CH4生成C2H4,而且O2-物种的消耗量和C2H4的生成量呈很好的消长对应关系.超氧物种O2-是BaF2/La2O3催化剂上甲烷氧化偶联反应的活性氧物种.     

Ab Initio Studies on Eight Electronic States of the BH_2 Radical

The present paper covers ab initio UHF calculations with a d, p-polarized basis set performed for eight electronic states of BH2 and the equilibrium geometries, electronic term values Tc and vibrational frequencies of the five stable states X2A1, 2B1, 2B2, 22A1 and 2A2. On the basis of the UHF results, the states 22B2. 2B1 and 32A1 are predicted to be unstable. The MP2/6-31G * * calculations were performed for the X2A1 and 2B1, states, and the calculated equilibrium geometries, Tc value and vibrational frequencies are similar to the UHF results. The MP2/6-31G * * studies on the reaction BH2→BH + H for the X2A1 and 2B1 states were carried out and the HB-H bond energies of these two states were calculated.     

Mukaiyama Aldol Reaction of 1,2-Bis(trimethylsiloxy) Cyclobutene Catalyzed by Magnesium(II) Iodide

Theuniquereactivityof1,2-bis(trimethylsiloxy)cyclobutene(BTCB)towardscarbonylsubstrateoritsacetalequivalentunderLewisacidcatalysiswasfirstrecognizedbyKuwajimaandNakamurain19771.Thereactiongenerallyledtothegeminalacylationorreductivesuccinoylationofcarbonylsubstrateviatheacid-catalyzedpinacol-typerearrangement(acylmigration)oftheMukaiyamaaldoladductasillustratedinEq.12.OR1R2R1R2OROROR1R2OOR=TMSCO2HOR1R2L.A.acidor(1)OTMSOTMS+Furtherdevelopmentofthisreactionhasbeencarriedoutexten…     

CRYSTAL AND MOLECULAR STRUCTURE OF DICHLOROBIS-(PYRIDINIOPROPIONATO)ZINC(Ⅱ) ,Zn(C_5H_5NCH_2CH_2CO_2)_2Cl_2

<正> A 1:2 adduct of ZnCl2 with pyridiniopropionate (C5H5N + CH2CH2CO2-,ppBET ) has been prepared and characterized by single-crystal X-ray analysis. The complex crystallizes in the monoclinic space group P21/c(No. 14) with a = 13. 524(2), 6 = 9.322(3), 15. 474(2) A, β=106. 34(2)°, V = 1871. 9(5) A3, Z = 4, Dm = 1. 554gcm-3, Dc=1. 557gcm-3, and μ = 16. 5cm-1. The crystal structure comprises discrete [Zn(ppBET)2Cl2] molecules in which the Zn atom is tetrahe-drally coordinated by two unidentate;carboxylato groups [Zn - O = 1. 965(4) , 1. 969 (4)A] and two chloro ligands [Zn-Cl=2. 269(2),2. 266(1)A].