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简介：DBUH-Br3catalyzedselectiveconversionofsulfidestosulfoxidesinthepresenceofH2O2asoxidizingagentisdescribed.Thereactionwasperformedselectivelyatroomtemperatureandrelativelyshortreactiontimes.

简介：一系列1-(N-(2-(2-methoxyphenylthio)本甲基)-N-methylamino-3-aryloxypropan-2-ols衍生物基于5-HT1A/SSRI药设计策略被设计并且综合。综合混合物为他们的双5-HT1A/5-HTT活动被评估。

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：Thetitlecomplex[NH_3CH_2CH(NH_2)CH_3]_2[M(Ⅵ)O_2(OC_6H_4O)_2](M=Mo_(0.6)W_(0.4))wassynthesizedviaasimplesolution-phasechemicalroute.ThedeterminationofsinglecrystalX-raydiffractionrevealedthatthetitlecompoundiscrystallizedinamonoclinicsystemwithP2(1)/nspacegroup,a=1.0913(10)nm,b=1.0442(10)nm,c=1.8842(19)nm,α=90°,β=96.530(17)°,γ=90°,Z=4,andV=2.133(4)nm3.Themononuclearanionicunit[M(Ⅵ)O2(OC6H4O)2]2-displayschiralpseudo-octahedral[MO_6]coordinationgeometryandislinkedbychiralcationsviahydrogenbondandπ…πstackinginteraction.Thetransmissionelectronmicroscopyimagesshowthatthetitlecomplexiscomprisedofnano-particleswithdiametersrangingfrom20to50nm.TheNMRstudyshowsthe1Hdownfieldchemicalshiftsof[NH_3CHaHbCH(NH_2)CH_3]+cationsinthetitlecomplexwhenitismixedwithadenosine-triphosphate(ATP),andthechemicalshiftdifferencebetweenHaandHbisincreasedgreatly,andmostofthecatecholateligandsdissociatefromthecentralmetalatoms.TheDNAcleavageactivityexperimentrevealsthatDNAcleavagepromotedbythetitlecomplexislowerthanthatbyNa_2MoO_4whichpossessesantitumorpro-perty,buthigherthanthatbyNa_2WO_4.

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：Ahighlyeffcientandgeneralmethodforthesynthesisofpolyfunctionalized4H-pyransisestablishedthroughaone-potmulticomponentcyclocondensationofaromaticaldehydeswithCHacids,malononitrileandethylacetoacetateusingnanosilicasupportedtin(II)chlorideasacatalyst.InthismethodSnCl2/nanoSiO2wasusedasgreenandreusablecatalyst.Excellentyields,shortreactiontimes,simpleworkup,andinexpensivenessandcommerciallyavailabilityofthecatalystaretheadvantagesofthismethod.

简介：Rare-earthcompoundsolidsuperacidSO42-/TiO2/La3+wasprepared.Itscatalyticactivitywasexaminedunderdifferentsyntheticconditionsfortheesterificationofpropanoicacidandn-butylalcoholasprobingreaction.Theoptimumconditionswerealsofound,whichwerethepH=8,thedepositingtimewas24h,themassfractionofLa(NO3)3usedinsolidsuperacidwas5%,theconcentrationofH2SO4was1.25mol/L,thesoakingtimeinH2SO4was16handthecalciningtemperaturewas500°C.TheethyloleatewassynthesizedfromoleicacidandethanolinthepresenceofSO42-/TiO2/La3+.Theoptimumreactionconditionswereobtainedwhichwerethereactiontimewas6h,molarratioofoleicacidtoethanolwas1:4andthemassfractionofcatalystwas4%.

简介：在微波辐射条件下，以2-氨基-5-苯并呋喃基-1，3，4-噻二唑和N．取代三氯乙酰苯胺为原料，在固体氢氧化钠作用下，“一锅法”高产率合成了10种N-（5-苯并呋喃基-1，3，4-噻二唑-2-基）-NL芳基脲，并通过IR、^1HNMR和元素分析表征了目标产物的结构．

简介：本标准适用于对甲酚、异丁醇为原料，以浓硫酸作为催化剂，氧化铝作为脱水剂，反应生成2，6-二叔丁基对甲酚。在食品加工中用作抗氧化剂。

简介：Inthispaperwereportachemicaloscillationcatalyzedby[Ni(Me2[14]1,3-dieneN4)]2+(Me2[14]l,3-dieneN4denotes2,3-dimethyl-l,4,8,ll-tetraazacyclotetradeca-1,3-diene)inBrO3--pyruvicacid-H2SO4system.Thedomainoftheexistenceoftheoscillationwasobtained.Theeffectsofinitialconcentrationofthecomponentsontheoscillationwerestudied.Thefeaturesoftheoscillationsweredescribedindetail.WealsoexaminedtheeffectsofAg+,Hg2+,CCl4,freeradicalinhibitors,etc.ontheosillations.

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.

简介：ＳＹＮＴＨＥＳＩＳＡＮＤＡＮＴＩ－ＨＵＭＡＮＩＭＭＵＮＯＤＥＦＩＣＩＥＮＣＹＶＩＲＵＳ－１（ＨＩＶ－１）ＡＣＴＩＶＩＴＹＯＦ９－（２－ＰＨＯＳＰＨＯＮＹＬＭＥＴＨＯＸＹＥＴＨＹＬ）ＡＤＥＮＩＮＥ（１）ＡＮＤＩＴＳＲＥＧＩＯＩＳＯＭＥＲ３－（２－ＰＨＯ...

简介：用Ｘ射线衍射法测定了标题化合物Ｃ２０Ｇ２０Ｏ２Ｓ２的晶体结构。该晶体属单斜晶体，空间群为Ｃ２／Ｃ，晶胞参数α＝１．１５０４（２）ｎｍ，ｂ＝１．１７８１（２）ｎｍ，ｃ＝１．４４４３（３）ｎｍ，β＝１０１．１４（３）°；Ｖ＝１．９２０６（７）ｎｍ３，ｚ＝４，Ｄｘ＝１．２３３ｍｇ／ｍｍ３，Ｆ（０００）＝７５２．最终偏离因子Ｒ＝０．０４３６．化合物中碳氧双键键长为０．１１９３ｎｍ，碳碳双键（Ｃ（１）－Ｃ（２））键长为０．１３３８ｎｍ，Ｓ－Ｃｓｐ２键键长为０．１７６２ｎｍ。

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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.