简介：含有ONO给体原子的N-邻甲氧基苯甲酰基水杨酰肼配体与[VO(acac)2]在乙醇中反应得到钒(V)酰配合物VO[(C15H12N2O4)(OC2H5)].标题化合物晶体属三斜晶系,空间群Pī,晶胞参数:a＝0.89411(5)nm,b＝1.0063(2)nm,c＝1.0392(2)nm,α＝110.171(7)°,β＝95.219(3)°,γ＝93.822(2)°;V＝0.8692(2)nm3,Z＝2,R1＝0.0513,wR＝0.1532.研究结果表明:钒原子具有扭曲的四方锥配位构型,钒酰氧原子处在锥顶位置,配体的3个给体原子与溶剂分子形成锥底平面.

简介：Halfsandwichirondicarbonylcomplex[η5-C5H3(t-Bu)2]Fe(CO)2Cl(1)reactswith1,2-dilithiumdiselenocarboraneLi2Se2C2B10H10(2)togiveabinuclearironcarboranecomplex[η5-C5H3(t-Bu)2]2Fe2(CO)3*Se2C2B10H10(3).TheX-raydiffractionanalysisofcomplex3revealsthatoneoftheironatomsischiral.

简介：ＩｎｔｒｏｄｕｃｔｉｏｎＴｈｅｒｅｃｅｎｔｄｉｓｃｏｖｅｒｙｏｆａｃｌａｓｓｏｆｃａｒｂｏｎｃｏｎｔａｉｎｉｎｇｍｏｌｅｃｕｌｅｓｋｎｏｗｎａｓｔｈｅｆｕｌｅｒｅｎｅｓｈａｓｐｒｏｄｕｃｅｄａｓｅｒｉｅｓｏｆｍａｔｅｒｉａｌｓｗｉｔｈａｗｉｄｅｒａｎ...

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：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.

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简介：Animidazolemodifiedsilverelectrodeispreparedbyimmersingthesubstratesilverelectrodeina2%imidazolesolutionofethanolat50℃for10min.Themodifiedelectrodeisthensweptinacytochromecsolutionandthemodifiedlayertakesoffbecausethemodifiedelectrodeisveryunstable.Althoughtheamountofthesilver-imidazolecomplexisverysmallcomparedwiththeamountofcytochromecintheproteinsolution,itgreatlyfacilitatesredoxreactionsinvolvingthebiomacromolecules.

简介：TheconstructionofadsorptivetypeC60modifiedelectrodeanditselectrochemicalreductionandoxidationbehaviorinaqueoussolutionsaredescribedinthisreport.Fourpairsofone-electrontransferreductionandoxidationcyclicvoltammetryisobtainedinaqueoussolutioncontaining30%CH3CNand2%(C2H5)4NOH.ItisreportedinthispaperthattheC60modifiedelectrodealsocatalyzestheelectrochemicalreductionofdissolvedoxygenin40%DMFand2%(C2H5)4NOHaqueoussolutionandthismightopenanewfieldforthepotentialapplicationsofC60inelectrochemistryandelectroaualyticalchemistry.

简介：一、酶促反应中的活化能非酶催化反应与酶催化反应,可以简单地利用下面所谓"热力学箱"反应式来示意:其中A,B是两种底物,E为酶。(AB)~+是在H.Eyring意义下的过渡状态。K_s,,K_K是相应反应的速度常数。假定反应是在某种溶液中进行的。反应式的第一行表示非酶催化反应,第二行表示首先形成酶一底物复合物EAB,接着通过状态E(AB)~+,最后以一个新的速度常数K_E发生反应到达终态E_+产物。这就是酶催化反应。两种反应途径所到达的终态相同,但是反应的活化能△F不同。如图1。

简介：在水热条件下合成了ENi（en）2]6E（VO）12O6B18O19（OH）3]．6H2O多钒硼酸盐，X射线衍射分析表明，该晶体属三方晶系，R-3空间群．测试了晶体的IR光谱和TG曲线，用循环伏安法详细研究了合成化合物的氧化还原性质及电子转移机理，结果表明该化合物具有两对氧化还原峰，其电子转移数分别为单电子和三电子．

简介：ＰＲＥＰＡＲＡＴＩＯＮＯＦＮ－ｔ－ＢＵＴＹＬＯＸＹＣＡＲＢＯＮＹＬ－Ｏ￣α－９－ＦＬＵＯＲＥＮＹＬＭＥＴＨＹＬＥＳＴＥＲＯＦＡＳＰＡＲＴＩＣＡＣＩＤ￥ＺｏｎｇＪｉｎＨＡＮ；ＺｈｅｎＫａｉＤＩＮＧａｎｄＱｉＫａｉＺＨＡＮＧ（ＢｅｉｊｉｎｇＩｎｓｔｉｔｕ...

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简介：用直接法合成了以锰为中心原子的过渡元素和钨的三元杂多配合物,经ICP和TG曲线确定其化学式为K5,6[MnM(OH2)W11O39]*xH2O(M＝Mn2+,Fe3+,Co2+,Ni2+,Cu2+,Zn2+和Cd2+),采用IR,UV,XRD和XPS等手段对配合物结构进行了表征,用循环伏安测定了其系列配合物的氧化还原性质,得出系列配合物的氧化性顺序,同时讨论配合物的热稳定性.

简介：利用同源模建和分子动力学模拟方法搭建了鼠源雌激素硫酸转移酶的三维结构，并用Profile-3D和Prostat评估了模型的可靠性．鼠源雌激素硫酸转移酶的三维结构的提出对硫酸转移酶家族催化机理的深入研究提供了重要的参考信息．

简介：Quasiclassicaltrajectorycalculation(QCT)isusedfrequentlyforstudyingcollisionalenergytransferbetweenhighlyvibrationallyexcitedmoleculesandbathgases.Inthispaper,theQCToftheenergytransferbetweenhighlyvibrationallyexcitedC6F6andN2,O2andgroundstateC6F6wereperformed.TheresultsindicatethathighlyvibrationallyexcitedC6F6transferredvibrationalenergytovibrationaldistributionofN2,O2andgroundstateC6F6,sotheyareV-Venergytransfer.EspeciallyitismainlyV-VresonanceenergytransferbetweenexcitedC6F6andgroundstateC6F6,excitedC6F6transfersmorevibrationalenergytogroundstateC6F6thantoN2andO2.ThevaluesofQCT,-〈△Evib〉ofexcitedC6F6aresmallerthanthoseofexperiments.

简介：￣１ＨＡＮＤ￣（１３）ＣＮＭＲＳＴＵＤＹＯＦＩＮＣＬＵＳＩＯＮＣＯＭＰＬＥＸＡＴＩＯＮＯＦＤＳＳＷＩＴＨβ－ＣＹＣＬＯＤＥＸＴＲＩＮ￥ＱｉｎｇＸｉａｎｇＧＵＯ；ＴａｎＲＥＮ；ＺｉＺｈｏｎｇＬＩａｎｄＹｏｕＣｈｅｎｇＬＩＵ（ＮａｔｉｏｎａｌＬａｂｏｒａ...

简介：FournewtaxanediterpenoidswereisolatedfromthebarkofTaxusyunnanensis.Theirstructureswereelucidatedasthenewskeletonwith5/7/6/4memberedringsbyspectralanalysisand2DNMRshiftcorrelationexperiments.