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简介：New[1+1]and62-membered[2+2]Schiffbasemacrocyclescontaininga2,6-diamidopyridinesubunithavebeensynthesizedbycondensationreactionoftheprecursorspyridine-2,6-dicarboxamideand1,10-bis(20-formylphenyloxy)decaneinthepresenceofphosphoricacidviaaone-potprocess.Thecyclocondensedproductswereeffectivelyisolatedbygelcolumnchromatographyandcharacterizedby~1HNMR,FTIR,massspectrometryandX-rayanalysis.Thetwomacrocycleshaveatwistedstructure,andnotanopen‘circular’conformationinthesolidstate.

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简介：NineteenL-N-2-hydroxyethylaminoacidsandL-N,N-bis(2-hydroxyethyl)aminoacidswerepreparedfromthereactionofchlorohydrinwithL-alanine,L-valine,L-leucine,L-isoleucine,L-phenylalanine,L-serine,L-thrcunine,L-glutamicacid,L-asparticacidandglycine.L-N,N,N’,N’-tetra(2-hydroxyethyl)cystinewaspreparedbythereactionofL-cystinewithchlorohydrin.

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简介：Sixnewcompounds,α,β-KaHb[GeW9M3(H2O)3O37].xH2O(M=Al,Ga,In;a+b=7)andα-K9H5[Ge2W18Ga6(H2O)3O74].20H2O,weresynthesizedfromthelacunaryprecursorsαandβ-GeW9O3410-andcharacterizedbyelementalanalysis,spectroscopyandelectrochemistry.Tungsten-183NMRspectraofthetitlecomplexesconsistoftwolineswithintensityratio2:1asexpectedfortrisubstitutedheteropolyanions.Theintensityratioofα-Gacompoundis1:2,whichisdifferentfromothers(2:1).WiththehelpofFABmassspectrum,weconcludedthatitisadimerwithD3h,structureinaqueous,andtheothersexistbymonomerswithC3cstructures.

简介：ThetitlecomplexEu(Ⅲ)(TTA)3(phen)(whereTTA=thenoyltrifluoroacetonemonoanion;phen=1,10-phenanthroline)hasbeensynthesizedinmixedsolventsofacetoneandethanol(1:1volumeratio)anditscrystalstructurehasbeendeterminedbyX-raydiffraction.Thecomplexcrystalsaretriclinic,spacegroupP1(#2)withcelldimensionsofa=1.3241(2)nm,6=1.5278(4)nm,c=0.9755(3)nm,α=92.49(2)°,β=102.57(2)°,γ=91.62(2)°,V=1.9268(8)nm3,Z=2,μ(MoKα)=18.77cm-1,Dx=1.720g/cm3.ThecoordinationgeometryofEuatomisadistortedsquareantiprism,andtheencapsulatedstructurethatcanmeetthestructuralrequirementofthetypicaleuropiumluminescentsensor.Thefluorescencespectrumsuggeststhatthecomplexisastrongphotoluminescentmaterial.

简介：提出了偏振能量色散x射线荧光光谱法测定炼钢污泥中化学成分的方法，优化了仪器的工作条件。在最佳分析条件下，测定了炼钢污泥样品中TFe、SiOz、MgO、AIzOs、P和CaO的含量，所测定的6种成分的相对标准偏差均小于3％，并对污泥试样进行了测定，其分析结果与用化学法的测定值相一致。采用偏振能量色散X射线荧光光谱法测定炼钢污泥中TFe等成分周期短、准确度高，方法简便、快速，完全能满足生产需求。

简介：样品经硝酸-氢氟酸-硫酸混合酸消解,磷酸提取。通过对溶液的测定介质和介质浓度、KBH4浓度、灯电流等条件的优化及其对共存元素测定影响及其消除,建立了用原子荧光光谱法测定地球化学样品中微量锗的方法,方法检出限为33ng/g,测定范围为0.10~60μg/g,经国家一级标准物质验证,测定结果与标准值吻合;方法精密度好,准确度高。

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简介：ReactionsofCuSCNwithtetramethylthiuramdisulfideinCH3CNinthepresenceofstyreneandN,N,N',N',N'-pentamethyldiethylenetriaminegaverisetoanewcopper(Ⅰ)complexofN,N'-dimethyldithio-cabamate{[Cu(S2CNMe2)]2}n.ThetitlecompoundcrystallizedinthetriclinicP-1spacegroupwithlatticeparametersα=0.7610(4)nm,b=0.8911(4)nm,c=0.9268(5)nm,α=68.66(1)°,β=83.88(2)°,γ=79.31(2)°,V=0.5748(5)nm^3,Z=2.Thecompoundhasaunique1DchainstructurecomposedofCuSCSCuSCSeight-memberedringsandapairofCu-Sbonds,thestructureofwhichhasbeendeterminedbysingle-crystalX-raycrystallography.Theisolationofthiscompoundmayprovidesomehelpfulinformationforthecauseoftheinductionperiodsofthereverseatomtransferradicalpolymerization.

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简介：利用MP2和mPWPW91方法,在6-311G＊＊和6-311＋＋G＊＊基组水平上研究了RDX分别与硝基、氨基和迭氮基取代的氮杂杯[2]-间-芳烃[2]三嗪和氮杂杯[2]-对-芳烃[2]三嗪形成的分子间氢键相互作用,并借助自然键轨道（NBO）和分子中的原子（AIM）理论揭示了氢键的本质.结果表明,氮杂杯[2]-间-芳烃[2]三嗪复合物中氢键主要发生在RDX与三嗪环及其取代基之间;氮杂杯[2]-对-芳烃[2]三嗪复合物中氢键主要发生在RDX与杯芳烃环及其取代基之间.分子间相互作用能在-18.82--40.62kJ/mol之间;经基组叠加误差（BSSE）校正后,相互作用能顺序为e〉f≈b〉a〉c〉d和e′〉b′〉f′〉a′〉d′〉c′.两类复合物中,氨基取代的复合物分子间氢键强于硝基或叠氮基复合物分子间氢键,氨基氮杂杯[2]-对-芳烃[2]三嗪与RDX形成的氢键最强,有望作为降低火炸药感度、进行火炸药废水处理的候选物.为获得稳定性较强的RDX-氨基氮杂杯芳烃超分子炸药,应该选取介电常数较大的溶剂.

简介：为10-aryl-6,8-dimethyl-6,10-dihydro-5-oxa-6,8-diazaanthra的准备的一个环境地友好的过程[2,3-d][1,3]在热没有溶剂的条件下面的dioxole-7,9-diones面对是的氰尿酸氯化物，异构的催化剂被开发。

简介：采用Gaussian-98程序进行,在HF/6-31G(d),B3LYP/6-31G(d)和MP2/6-31G(d)水平下优化分子结构并寻找过渡态,对于MP2/6-31G(d)结果在QCISD(T,E4T),MP4/6-311+G(d,p),MP4/6-311+G(2df,p)水平下重新计算能级.并用内禀反应坐标(IRC)法研究了N2O22-和亚硝酸HONO的异构化反应机理.

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简介：Thesynthesisandspectrophotometricpropertiesof2-(6-methyl-2-benzothiazolylazo)-5-diethylaminophenol(MBTAE),andtheuseofitasaprecolumnderivatizingreagenttoseparateCo(Ⅱ),Ni(Ⅱ),Rh(Ⅲ)andIr(Ⅳ)complexesbyHPLCarediscussed.Whenthemobilephaseconsistsofmethanol/water(90/10Ⅴ/Ⅴ),acetatebufferwithpH4.0and5×10-5mol/LEDTAsolution,thefourcomplexesCanbeseparatedwithin9minonODScolumn.Thedetectionlimits(20μLsamplesize)are0.059ppb,0.062ppb,0.053ppband0.049ppbforCo(Ⅱ),Rh(Ⅲ),Ni(Ⅱ)andlr(Ⅳ)respectivelyatasignal-to-noiseratioof3.

简介：Aseriesof2’-purineandpyrimidinederivativesof1’,4’-anhy-dro-2’-deoxy-D-arabitol(1)and1’,4’-anhydro-2’-deoxy-D-altritol(2)weresynthesizedregio-andstereo-selectivelyfromD-sorbitolthroughsomeconversioninhighyields.