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简介：分别用半经验的AM1,PM3及MNDO方法研究了富勒烯衍生物C70S的12种可能异构体的结构和稳定性.计算结果表明:S原子加成在4种6-6键上的稳定构型中,非赤道带6-6键加成的三个异构体为闭环结构,赤道带6-6键加成的一个异构体为开环结构;S原子加成在4种6-5键上均可产生开环和闭环两种稳定构型.加成在6-5双键的异构体其闭环构型更稳定,加成在6-5单键的异构体其开环构型更稳定.闭环异构体中S原子加成在碳球极处6-6键上的构型1,2最稳定,开环异构体中S原子加成在赤道带6-6键上的构型8最稳定.

简介：IntroductionInthepastseveralyears,muchresearchworkhasbeendoneforthesynthesisofC-fusedbicyclo-β-lactamcompoundsandaconcise“DoubleAnnulation”procedurehasbeendeveloped.Theβ-lactamringisformedbytheclassicalStaudingerreaction［1—3］betweenα-(alkylthio)acylchlorideandanequivalentα,β-unsaturatedimine.Thesulfurringissubsequentlyfusedontotheβ-lactamunitbymeansofahalogen-promotedheterocyclizationprocess［4—6］.ThisprocedurewasappliedtothesynthesisofpenemasillustratedinFig.1.TheobtainedX-penemsareakindofimportantintermediatesforsynthesizingaseriesofβ-lactamcompounds,forexample,theyarecarboxylatedbycouplingreactionsontheCatomwhichislinkedtohalagen,formingpenem［7］.Animportantpurposeintheresearchfieldistoprobeintonewβ-lactammedicines.

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简介：FiveC3/C3fluoroquinolonedimerstetheredwithafusedheterocyclicringofs-triazolo[2,1-b][1,3,4]thiadiazolederivedfromantibacterialquinolonesweresynthesizedandcharacterized,andtheirinvitroantitumoractivityagainstL1210,CHOcelllineswasevaluatedviatherespectiveIC50values.

简介：[Co3(1,2-S2C6H4)3(PPh3)3][CoBr3(DMF)].sol(1,sol=CHCl3,O(C2H5)2,H2O)wasobtainedfromthereactionofCoBr(PPh3)3withNa2(S2C6H4)inchloroform.TheCo3coreinthecationof1exhibitsametal-metalbondedisoscelestriangle,inwhichthetwolongerCo-CobondsarebothbridgedbyS2C6H4ligandsontwosidesofthetriangleplanerespectively,whilethebottomshortCo-CobondisbridgedbythethirdbidentateS2C6H4ligand.Aseriesofpolynu-clearcobaltclustercompoundswithphosphine,thiolateand/orsulphurligandswerepreparedbylowoxidationstateCo+withthiolatesinorganicsolvents.Thesetri-,tetra-,hexa-,heptanuclearclustercompounds1-8withvarioustypesofcrystalstructurescanbeviewedasthecondensedpolynuclearcobaltcomplexesthatthecobaltatomframeworkswithsulphurbridgedwerebuiltthroughthesmalltriangularunitsof[Co3S3nL3](n=1,2)withorwithout[CoL](L=PR3,Br,Cl,5-C5H5)fragments.

简介：ＩｎｔｒｏｄｕｃｔｉｏｎＴｈｅｒｅｃｅｎｔｄｉｓｃｏｖｅｒｙｏｆａｃｌａｓｓｏｆｃａｒｂｏｎｃｏｎｔａｉｎｉｎｇｍｏｌｅｃｕｌｅｓｋｎｏｗｎａｓｔｈｅｆｕｌｅｒｅｎｅｓｈａｓｐｒｏｄｕｃｅｄａｓｅｒｉｅｓｏｆｍａｔｅｒｉａｌｓｗｉｔｈａｗｉｄｅｒａｎ...

简介：用Co2（CO）8与CH3CSNH2反应制得产物Ⅰ，又用Na2Fe（CO）4与Ⅰ反应制得产物Ⅱ（Ⅰ：Co3（μ3－S）（CO）7（CH3CSNH），Ⅱ：Co2Fe（μ3-S）（CO）7（CH3CSNH）．通过元素分析。IR、UV、1HNMR、MS表征并用X射线衍射法测得Ⅱ的单晶结构.该簇合物属三斜晶系、PT空间群，晶胞参数：a=0．9203（1），b=1．1296（2），c=1.1425（2）nm；α=116．40°（2），β＝101．92°（2），γ＝92．58°（1）；z＝2，V=1．2162nm3，Dc＝1．698cm3，μ＝21．89cm-1.结构分析表明，Co2FeS构三角锥分子骨架，所有CO均为端基配体，S1为面桥基配体，CH3CSNH为双齿配体，与Co、Fe形成五元环结构．

简介：bicyclo[2.2.2]与在C-8和C-9的一枚内酯的戒指，atisine类型C20-diterpenoid碱，辛烷C/D戒指系统成功地被综合，用氧化dearomatization/intramolecularDielsAlder反应。

简介：Onenewsesquiterpenecompound,namely,illihenlactoneA（1）,andonenewprenylatedC6–C3compound,illihenryioneH（2）,alongwiththreeknownsesquiterpenes（3–5）wereisolatedfromthestemsofIlliciumhenryi.Thestructuresof1and2wereelucidatedbyspectroscopicevidenceincludingNMR,HRESIMSandcirculardichroism（CD）.Compound2exhibitedaweakinhibitoryratioforbglucuronidasereleaseinducedbyplatelet-activatingfactor（PAF）inratpolymorphonuclearleukocytes（PMNs）invitro.

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简介：Thispaperreportstwolanthanidecomplexesofformula（C9H7）Ln（C8H8）·（THF）2whereLnisProrNd,C9H7isindenyl,andC8H8iscyclooctatetraene（COT）.ThecomplexeswerepreparedbythereactionofLnCl3withK（C9H7）andK2（C8H8）inTHF.（C9H7）Pr（C8H8）·（THF）2crystallizesinTHFat-15℃inthemonoclinicspacegroupP21:withunitcelldimensionsa=8.446（0）,b=10.083（2）,c=13.407（3）,β=105.48（1）°,V=1100.43（35）3,Dc=1.52g/cm3andZ=2.ThefinalRvalueis0.033,Rwvalueis0.030,respectively.In（C9H7）Pr（C8H8）·（THF）2afive-memberedringcentroidofC9H7,theC8H8ringcentroidandthetwooxygenatomsfromthetwoTHFmoleculesformadistortedtetrahedralgeometryaroundthemetal.

简介：神经生长禁止的因素(GIF)，metallothionein家庭的一个成员(metallothionein-3，MT3)，由它的不同神经生长众所周知禁止的活动，它没被另外的MTisoforms显示出。到现在为止，然而，人们仍然不清楚地知道GIF怎么施加它的生物功能。因为GIF力量用作没有scavenger，这被报导了并且与锌的版本有关，我们的学习被与没有施主的SNOCa类型学习人的GIF和人的MT1g的反应集中于GIF和号码的相互作用，GIF是比向SNOC的MT-1g更反应的，这被发现。为了进一步弄明白，如果在这反应的GIF的高反应源于酸硷的催化作用，几异种被构造：E23K，E41G/E43A，E23K/E41G/E43A。由向SNOC学习他们的基本性质和反应，GIF的S-nitrosylation与酸硷的催化作用有关，这被发现不仅，而且到metal-thiolate簇的可接近性。

简介：AhighlyefficienttotalsynthesisofS-(+)-tylophorinehasbeenaccomplishedinfullyasymmetricfashion.

简介：Ｃ１９－ＤＩＴＥＲＰＥＮＯＩＤＡＬＫＡＬＯＩＤＳＯＦＤＥＬＰＨＩＮＩＵＭＭＯＬＬＩＰＩＬＵＭ￥ＳｕｏＭｉｎｇＺＨＡＮＧ；ＱｉｎｇＹｕＯｕ(ＬａｎｚｈｏｕＩｎｓｔｉｔｕｔｅｏｆＣｈｅｍｉｃａｌＰｈｙｓｉｃｓ，ＣｈｉｎｅｓｅＡｃａｄｅｍｙｏｆＳｃｉ?..

简介：TheinteractionbetweenC60’sinsolidC60hasbeencalculatedby(exp-6-1)potential,andthecauseandthecontrolledfactorofthehighrapidrotationsofC60’swerediscussed.InordertodescribethedisordereddegreeofC60rotation,anequivalentMisintroduced.Thephasetransitionsatthe~260Kandatthe~90KarestudiedfromtheviewpointofC60rotation.Thepotentialbarriersoftheorderedrotationbelowthe~260Kandthedisorderedrotationabovethe~260Khavebeengiven,andtheeffectoftheexternalpressureonthetemperatureofphasetransitionhasalsobeengiven.

简介：INthepreviouspapersoftheauthor’s,theelementaryreactionoperatorconcerningpointgroupwasdiscussed.Inthispaper,morecomplexreactionoperatorswillbeanalysed.Byusingtheskillinreactionoperator,theelectrocyclicandcy-cloadditionreactionsareillustrated.

简介：Baker'syeastmediatedreductionofopticallyactivediketoneisdescribed.Thetwoketogroupsareefficientlydifferentiatedandtheeevalueoftherecoveredmaterialisconsiderablyraised.Itaffordshighlyopticallyactivekeyintermediatesefficientlyforthesynthesisofnaturalpolyhydroxylatedagarofuranproducts.

简介：采用铜（Ⅱ）盐和3,5-二氯水杨醛缩丝氨酸以及4,4′-联吡啶在乙醇水溶液中合成了具有二维层状的配位聚合物.通过元素分析、红外光谱对该配位聚合物进行了表征,并利用X射线单晶衍射仪对其结构进行了鉴定.晶体结构表明,该标题配合物属三斜方晶系,空间群C2/c,晶胞参数为a=2.711（3）nm,b=2.711（3）nm,c=4.977（5）nm;α=90.00°,β=90.00°,γ=120.00°,V=3.1678nm^3,Z=18,Dc=1.173g·cm^-3,F（000）=11448,μ=0.807mm-1,R1=0.0788,wR2=0.1872.

简介：到HOCN的HNCO的反应，到HSCN的HNCS和到HSeCN的HNCSe在MP2/6-311++G被学习了(2df，pd)//B3LYP/6-311++G(2df，pd)水平。反应物，转变状态和产品的几何学被优化了，转变状态的几何学第一次被报导。HNCO和HNCS容易被检测而不是HOCN和HSCN的原因被解释了。HNCSe将更容易比HSeCN被检测，这被预言。在反应的化学契约的破裂和形成被电子密度的拓扑的分析方法讨论了。在反应有二种结构转变状态(圣)的计算结果表演学习了。