简介：Twonewdicyanamidecoordinationpolymers,{Mn(dmpz)[N(CN)2]2}2(1)and{Cu(dmpz)[N(CN)2]2}2(2)(dmpz=3,5-dimethylpyrazole),weresynthesizedandcharacterizedbysinglecrystalX-raydiffractionanalysisandIRspectroscopy.In1and2themetalionshavetwodifferentcoordinationmodes,whereoneiscoordinatedtofourdicyanamideanionsandtwomonodentatedmpzmoleculestoformaslightlydistortedoctahedralgeometry,whiletheotheradoptsoctahedralgeometry,surroundedbyfournitrileNatomsandtwoamideNatomsofthedicyanamideanions.Bothcomplexescontaintwoalternatingchainsthatareparalleltoeachother.
简介：ThecrystalstructureofDi-nitratobis（ethylcaprolactam）uranyl（Ⅱ）UO2[CH2（CH2）4CONC2H5]2（NO3）2wasestablishedbyasingle-crystalX-raydiffractionstudy.Itistriclinie,spacegroupP1,witha=7.171（2）,b=8.655（3）,c=10.182（5）A,α=78.27（3）,β=70.63（3）,γ=81.76（3）°,V=581.7（4）A3,Z=l,Dc=1.94g.cm-3.FinalRvalueis0.0218.Theresultrevealsthaturanylioniscoordinatedtosixoxygenatoms,twoofthemarefromtwocarbonylgroupsofethylcaprolactamandtheotherfourarefromtwonitrategroups.
简介： Enantioimericallypure1,l'-bi-2-naphthol(BINOL)1anditsderivativesareimportantchiralligandsandauxiliariesforanumberofasymmetrictransformations1suchasaldolcondensations,alkylations,Diels-Alderreactions,Michaeladditions,epoxidations,etc.Opticallypure1andtheirderivativeshavealsobeenusedextensivelyinchiralrecognition,chiralseparationandintheconstructionoffunctionalisedmaterials2.Furthermore,(R)-and(S)-BINOLarealsofundamentalstartingmaterialsforthesynthesisofalargevarietyofotherchiralbinaphthylssuchasMOP(2c),NOBIN(2d)andBINAP(2e).Asaresultthedevelopmentofefficientandeconomicmethodsforthepreparationofopticallypure1hasattractedmuchattentioninrecentyears3andnovelmethodsfortheresolutionof(±)-1continuetobedeveloped.……
简介：Themononuclearcomplex,[NtCl2(trzCHzCHzCOPh)4]·6H2O(trz=1,2,4-triazole),wassynthesizedanditsstructurewasdeterminedbysinglecrystalX-raydetermination.Itcrystallizesinthemonoclinicsystem,spacegroupP21/c,withlatticepa-rameters:a=0.80391(2)nm,b=1.06215(2)nm,c=2.90133(2)nm,β=94.792(1)°andZ=2.EachnickelatomiscoordinatedbyfourNatomsoftriazolefromfourβ-(1,2,4-IriHole-1-yl)propiophenoneligandsandtwochlorideanionsinarrangementwithoctahedralcoordinationgeometry.Inadditiontothecoordinatingnickelcomplex,therearesixunco-ordinatedwatermolecules.TheNi—Ndistanceis0.24865(8)nmandtheNi—Ndistaneesareintherangeof0.2072(2)to0.2099(2)nm,respectively.Inthesolidstate,theUtiecom-poundformsthreedimensionalnetworkstructurethroughhy-drogenbonds.Theintermolecularhydrogenbondsconnectthe[NiCl2(C2H2N3CH2CH2COPh)4]andH2Omoieties.Thedeepgreencrystalswerealsoexaminedbyelementalanalysis,FT-IRandUVspectra,whichareinagreementwiththestructuralda-ta.
简介：Thecopper(Ⅱ）complex[Cu3(nta)2(azpy)2(H2O2)]·6H2O(nta=nitrilotriacetate,azpy=4,4′-azobispyridine)hasbeensynthesizedandcharacterized.TheX-rayanalysisrevealsthattherearetwokindsofcopper(Ⅱ）coordinationenvironments.Cu(1)hasadistortedsquareplanesymmetryandCu(2)hasadistortedoctahedralsymmetry.Cu(1)islinkedtoCu(2)throughntaandboundtoCu(1C)byazpy,andCu(2)islinkedtoCu(2A)throughazpy,whichextendstotwo-dimensionalnetworkwithlargerhombus1.2nm×1.7nm.
简介：The2-Dheteronuclearcoordinationpolymer{[Ag4Fe2(SCN)12(H2O)2][(inaH)2(H2O)2]}n(1)(inaHistheabbreviationofprotonatedisonicotinicacid)withchemicalformulaC24H20Ag4Fe2N14O8S12hasbeensynthesizedandcharacterizedbysinglecrystalX-raydiffraction,elementalanalysisandIRspectroscopy.TheAgES2ringsconnecttwokindsofoctahedralgeometriesofFe(Ⅲ)ions,[Fe(NCS)6]^3-and[Fe(H2O)E(NCS)4]^-unitswithbridgingthiocyanateionsleadingto2-D[Ag4Fe2(SCN)12(H2O)2]^2-anionframework.Fourkindsofringsincludingtheunprecedentedthirty-twomemberedAg4Fe4(SCN)8ringssharecomersoredgesinthe2-Danionlayerstructure.AllthiocyanatescoordinatetothemetalionsaccordingtotheHSABprinciplewithNatomsbindingtotheFe(Ⅲ)ionsandwithSatomsbindingtoAg(I)ions.Pronoatedinacationsstabilizethelayerstructureascounterionsandhydrogenbondswereformedwithinthepronoatedinacationsdimerandbetweenthedimersandthelatticewaters.Crystaldata:Mr=1560.44,triclinic,P-↑1,a=0.76082(1)nm,b=0.9234nm,c=1.85611(4)nm,α=103.0170(10)°,β=93.7780(10)°,γ=97.4080(10)°,V=1.25385(3)nm^3,Z=1,μ(MoKα)=2.650mm^-1,Dc=2.067g·cm^-3,F(000)=758,R1=0.0412,wR2=0.1003.
简介：SodiumdithioniteinitiatedsulfinatodehalogenationofBrCF2CF2Risstudied.
简介：Thecanonicalandlocatizedmolecutarorbitersof[NCCuS2NoS2]2-clusterwerecalculatedbymeansofCNDOquantumchemistrymethod.Thentheenergyandpropertiesofcorrespondingchemicatbondswerediscussed,especially,Cu-Sb-NothreecenterconjugatedπbondsandNo-St-Noconjugatedπbondswereaccountedfor.
简介：ＮＯＶＥＬＯＸＩＤＡＴＩＯＮＯＦＨＥＸＡＢＥＮＺＹＬＨＥＸＡＡＺＡ－ＩＳＯＷＵＲＴＺＩＴＡＮＥＢＹＭｅ２ＣＨＮＯ２／ＣｕＣｌ／Ｐｙ／Ｏ２ＸｉａｏＰｅｉＧＵＡＮ；ＨｏｎｇＹＡＮ；ＪｉａｎＧｕａｎｇＳＵＮ；ＹｏｎｇＺｈｏｎｇＹＵ(ＳｃｈｏｌｏｆＣｈｅ?..
简介：Thecombinationofboth4,4′-bipyridine(4,4′-bipy)anddihydrogenphosphateanionligandswithcopper(Ⅱ)resultsintheformationofanovellayeredcompoundCu(4,4′-bipy)2(H2PO4)2(H2O)2.ThecrystalstructurecomprisesdiscreteneutralCu(4,4′-bipy)2(H2PO4)2(H2O)2units.Thecopperatom,locatedonthecrystallographictwofoldaxis,iscoordinatedwithtwonitrogenatomsofterminal4,4′-bipyligandsandtwowatermoleculesattheequatorialpositions,andtwodihydrogenphosphateoxygenatomsattheaxialpositions,forminganelongatedoctahedron.Thecomplexisatwo-dimensionaldistortedrhomboidalnetworkpossessingtwokindsofrhomboidswithdimensionsofca.1.6792nm×0.3203nmand1.2778nm×0.3198nm,respectively.Thetwo-dimensionalnetworksarestackedparallellyoneachotheralongc-axistogiveanextendedthree-dimensionalchannelnetworkwithaninterlayerdistanceofca.0.5030nm.Crystaldata:triclinic,spacegroupP-1,a=1.0253(2)nm,b=1.4501(3)nm,c=0.79715(16)nm,α=97.91(3)°,β=90.99(3)°,γ=85.54(3)°,V=1.1703(4)nm3,Z=2,R=0.0892,wR=0.2451.
简介：Thesolidaddofthefirstprotonatedzincoborophosphate,(H3O)Zn(H2O)2BP2O8·H2O(1),wassoventothermallysyn-thesizedbythereactionofZn(NO3)2·6H2OandH3BO3withH3PO4inamixedsolvent,andstructurallycharacterizedbysingle-ystalX-raydiffractionanalysis.ItcrystallizesinthehexagonalP6122,a=0.9604(4)nm,c=1.5297(6)nm,V=1.2218(8)nm^3,Dc=2.921g/cm^3,Z=6,F(000)=1080,μ=3.495mm^-1.Thestmchwefeaturesthatthetetrahedra-te-trahedrahdlcesinterconnectedbyoctahedraandstronghydro-gembondinteractionsformathree-dimensionalframework.Theprotonatedwatermoleculesarelocatedatuniquepositions.othercharacterizationsbyIRandthermalanalysisarealsode-scribed.
简介：Thecrystalandmolecularstructuresof[(C3H7O)2PS2]2(CCDCNo.217201)weredeterminedbymeansofX-raycrystallography.ItcrystallizedinatriclinicsystemwithspacegroupP1^-andlatticeparametersa=0.82794(3)nm,b=0.84764(2)nm,c=0.85034(3)nm,α=97.78(3)°β=110.77(3)°,γ=94.95(3)°,V=0.54701(9)nm^3,Z=1.Inthismolecule,thetwodiisopropyldithiophosphategroups,[(C3H7O)2PS2]2,whichareparalleltoeachother,arelinkedbyanS--Sbondandthereexistinversioncentersinthemolecule,Inthestructure,theP=Sbondsinthetwodithiophosphateunitsaretrans-orientedtoeachother.
简介：Thethermalbehavior,mechanismandkineticparametersoftheexothermicfirst-stagedecompositionofthetitlecompoundinatemperature-programmedmodewereinvestigatedbymeansofDSC,TG-DTGandIR.Thereactionmechanismwasproposed.Thekineticmodelfunctionindifferentialform,apparentactivationenergy(Ea)andpre-exponentialfactor(A)ofthisreactionare(3/2)(1-a)[-In(1-a)]^1/3,185.52kJ/moland10^17.78s^-1,respectively.Thecriticaltemperatureofthethermalexplosionofthecompoundis201.30℃.Thevaluesof△S^≠,△H^≠and△G^≠ofthisreactionare72.46J/(mol·K),175.1kJ/moland141.50kJ/mol,respectively.
简介：Anewapproachtothesynthesisof2,2″-biflavanonesbythereductivedimerizationoffla-vonesisreported.Theproducts,theracemateandmesobiflavanones,havebeenseparatedandtheirstructureshavebeendeterminedonthebasisoftheirspectraldata.Theconfigurationof3bhasbeendeterminedbyX-raycrystallographyaswell.
简介：Themonomericcobalt-phosphite-thiolatocomplex[Co(mpt)2{P(OCH3)3}2]BF4(Hmpt=2-mercaptothiazoline)hasbeenpreparedandcharacterizedbyX-raycrystallography.ThecomplexcrystallizesinthemonoclinicspacegroupC2/cwitha=0.8078(5),b=2.6020(18),c=1.2191(7)nm,β=99.38(1)°,V=2.528(3)nm3,andZ=4.Thestructurecomprisesdiscretecations[Co(mpt)2{P(OCH3)3}2.]+andanionsBF4-,inwhichthecobalt(Ⅲ)atomiscoordinatedtotwochelatempt-andtwoas-orientedmonodentateP(OCH3)3ligandsinahighlydistortedoctahedralgeometry.ThemostdistortedanglesareS(2)-Co(1)-S(2a)of162.23(10)°andN(1)-Co(1)-S(2)of71.47(13)°,thelatteriscausedbythegeometricconstraintofthebidentateligandmpt-.CyclicvoltammetryhasbeenusedtostudytheelectrochemicalbehaviorofthetitlecomplexontheRelectrodeinMeCNsolutionwith0.1mol·L-1ofBun4NBF4aselectrolyte.TheresultsindicatethatthetitlecomplexisunstableinMeCN.
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![Two New Dicyanamide Coordination Polymers with Alternating Parallel Chains： {Mn（dmpz）[N（CN）<b style='color:red'>2</b>]<b style='color:red'>2</b>}<b style='color:red'>2</b> and {Cu（dmpz）[N（CN）<b style='color:red'>2</b>]<b style='color:red'>2</b>}<b style='color:red'>2</b>](/image/thesis0 "Two New Dicyanamide Coordination Polymers with Alternating Parallel Chains： {Mn（dmpz）[N（CN）<b style='color:red'>2</b>]<b style='color:red'>2</b>}<b style='color:red'>2</b> and {Cu（dmpz）[N（CN）<b style='color:red'>2</b>]<b style='color:red'>2</b>}<b style='color:red'>2</b>")
![CRYSTAL STRUCTURE OF DI - NITRATOBIS（ETHYLCAPROLACTAM）URANYL（Ⅱ） UO<b style='color:red'>2</b>[CH<b style='color:red'>2</b>（CH<b style='color:red'>2</b>）4CONC<b style='color:red'>2</b>H5]<b style='color:red'>2</b>（NO3）<b style='color:red'>2</b>](/image/thesis1 "CRYSTAL STRUCTURE OF DI - NITRATOBIS（ETHYLCAPROLACTAM）URANYL（Ⅱ） UO<b style='color:red'>2</b>[CH<b style='color:red'>2</b>（CH<b style='color:red'>2</b>）4CONC<b style='color:red'>2</b>H5]<b style='color:red'>2</b>（NO3）<b style='color:red'>2</b>")
![Structure of Tetra[β-（1,<b style='color:red'>2</b>,4-triazole-l-yl） propiophenone ] Dichloro NiCkel（Ⅱ） Solvate Hexahydrate Complex：[NiCl<b style='color:red'>2</b> （ C<b style='color:red'>2</b>H<b style='color:red'>2</b>N3CH<b style='color:red'>2</b>CH<b style='color:red'>2</b>-COPh） 4 ]·6H<b style='color:red'>2</b>O](/image/thesis3 "Structure of Tetra[β-（1,<b style='color:red'>2</b>,4-triazole-l-yl） propiophenone ] Dichloro NiCkel（Ⅱ） Solvate Hexahydrate Complex：[NiCl<b style='color:red'>2</b> （ C<b style='color:red'>2</b>H<b style='color:red'>2</b>N3CH<b style='color:red'>2</b>CH<b style='color:red'>2</b>-COPh） 4 ]·6H<b style='color:red'>2</b>O")
![Synthesis,Structure and Characterization of Two—dimensional Network Copper Complex [Cu3（nta）<b style='color:red'>2</b>（azpy）<b style='color:red'>2</b>（H<b style='color:red'>2</b>O）<b style='color:red'>2</b>]·6H<b style='color:red'>2</b>O](/image/thesis4 "Synthesis,Structure and Characterization of Two—dimensional Network Copper Complex [Cu3（nta）<b style='color:red'>2</b>（azpy）<b style='color:red'>2</b>（H<b style='color:red'>2</b>O）<b style='color:red'>2</b>]·6H<b style='color:red'>2</b>O")
![Synthesis and Crystal Structure of a Two-dimensional Silver（Ⅰ）-Iron（Ⅲ） Heteronuclear Coordination Polymer： {[Ag4Fe<b style='color:red'>2</b>（SCN）12（H<b style='color:red'>2</b>O）<b style='color:red'>2</b>] [（inaH）<b style='color:red'>2</b>（H<b style='color:red'>2</b>O）<b style='color:red'>2</b>]}n](/image/thesis5 "Synthesis and Crystal Structure of a Two-dimensional Silver（Ⅰ）-Iron（Ⅲ） Heteronuclear Coordination Polymer： {[Ag4Fe<b style='color:red'>2</b>（SCN）12（H<b style='color:red'>2</b>O）<b style='color:red'>2</b>] [（inaH）<b style='color:red'>2</b>（H<b style='color:red'>2</b>O）<b style='color:red'>2</b>]}n")
![LOCALIZED STUDIES ON ELECTRONIC STRUCTURE AND CHEMICAL BOND FOR [NCCuS<b style='color:red'>2</b>MoS<b style='color:red'>2</b>]<b style='color:red'>2</b>- CLUSTER](/image/thesis7 "LOCALIZED STUDIES ON ELECTRONIC STRUCTURE AND CHEMICAL BOND FOR [NCCuS<b style='color:red'>2</b>MoS<b style='color:red'>2</b>]<b style='color:red'>2</b>- CLUSTER")
![茂金属配合物[<b style='color:red'>2</b>,5-（Me3Si）<b style='color:red'>2</b>MeC5H<b style='color:red'>2</b>FeI（CO）<b style='color:red'>2</b>]的电子结构研究](/image/thesis11 "茂金属配合物[<b style='color:red'>2</b>,5-（Me3Si）<b style='color:red'>2</b>MeC5H<b style='color:red'>2</b>FeI（CO）<b style='color:red'>2</b>]的电子结构研究")
![Crystal Structure of Bis （0, O＇-diisopropyl dithiophosphate） ： [（C3H7O）<b style='color:red'>2</b>PS<b style='color:red'>2</b>]<b style='color:red'>2</b>](/image/thesis13 "Crystal Structure of Bis （0, O＇-diisopropyl dithiophosphate） ： [（C3H7O）<b style='color:red'>2</b>PS<b style='color:red'>2</b>]<b style='color:red'>2</b>")
![Synthesis and crystal structure of [Co（mpt）<b style='color:red'>2</b>{P（OCH3）3}<b style='color:red'>2</b>]BF4 （Hmpt = <b style='color:red'>2</b>-mercaptothiazoline）](/image/thesis16 "Synthesis and crystal structure of [Co（mpt）<b style='color:red'>2</b>{P（OCH3）3}<b style='color:red'>2</b>]BF4 （Hmpt = <b style='color:red'>2</b>-mercaptothiazoline）")
![Synthesis of Novel Binuclear Samarium Thiolate Complexes [（THF）3I<b style='color:red'>2</b>Sm（μ-SAr）]<b style='color:red'>2</b> （Ar=Ph, 4-Me<b style='color:red'>2</b>NC6H4） and Crystal Structure of [（THF）3I<b style='color:red'>2</b>Sm（μ-S-4-Me<b style='color:red'>2</b>NC6H4）]<b style='color:red'>2</b>](/image/thesis17 "Synthesis of Novel Binuclear Samarium Thiolate Complexes [（THF）3I<b style='color:red'>2</b>Sm（μ-SAr）]<b style='color:red'>2</b> （Ar=Ph, 4-Me<b style='color:red'>2</b>NC6H4） and Crystal Structure of [（THF）3I<b style='color:red'>2</b>Sm（μ-S-4-Me<b style='color:red'>2</b>NC6H4）]<b style='color:red'>2</b>")
![Synthesis and Crystal Structure of a <b style='color:red'>2</b>D Honeycomb-like Polymeric Cluster （Et4N）3{[MoS4Cu<b style='color:red'>2</b>（μ-CN）]<b style='color:red'>2</b>（μ＇-CN）}·<b style='color:red'>2</b>MeCN](/image/thesis18 "Synthesis and Crystal Structure of a <b style='color:red'>2</b>D Honeycomb-like Polymeric Cluster （Et4N）3{[MoS4Cu<b style='color:red'>2</b>（μ-CN）]<b style='color:red'>2</b>（μ＇-CN）}·<b style='color:red'>2</b>MeCN")
![Crystal Structure and Bioactivity of Complex [Gd（C10H9N<b style='color:red'>2</b>O4）（C10H8N<b style='color:red'>2</b>O4）（H<b style='color:red'>2</b>O）3]<b style='color:red'>2</b>·phen·4H<b style='color:red'>2</b>O](/image/thesis19 "Crystal Structure and Bioactivity of Complex [Gd（C10H9N<b style='color:red'>2</b>O4）（C10H8N<b style='color:red'>2</b>O4）（H<b style='color:red'>2</b>O）3]<b style='color:red'>2</b>·phen·4H<b style='color:red'>2</b>O")