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：MakinguseoftheZ2×Z2symmetry,wecouldstudythestructurenearmultipleS-treakingturningpoints.Inparticular,weshowthatthereexisttwokindsofsingularpointpaththroughdoubleSbreakingturningpointsandtripleSbieakingturningpoints,onetsquadraticturningporntpathandoneisquadraticpitchforkbifurcationpointpath.SomesimpleregularextendedsystemstocornputedoubleandtripleS-breakingturningpointsareproposed.Numericalexamplesarealsogreen
简介：采用HF/DFT的混合泛函PBE0和UPBE0优化了配合物[Os（PH3）2（CN）2（N^N）]（其中N^N=2,2′-吡啶）的基态和激发态结构.在基态和激发态结构的基础上,利用含时密度泛函理论（TD-DFT）方法,结合极化连续介质（PCM）模型分别计算了它在二氯甲烷（1）、甲醇（2）、气态（3）和乙腈（4）溶液中的吸收和发射光谱.研究结果表明：优化得到的几何结构参数和相应的实验值符合得非常好.在极性较大的溶剂（2和4）中Os—P（1）和Os—C（1）键较长,Os—N（3）键较短,溶剂的极性会影响配合物的电子云分布.配合物在1-4溶剂中的最低能吸收和发射均来自分子轨道68→71的激发,该激发被指认为[d（Os）＋π（CN）＋π（N^N）→π＊（N^N）]的跃迁具有混合的MLCT/LLCT特征.配合物在1-4溶剂中的最低能吸收和发射分别在471,410,488和445nm以及598,536,634和545nm,表明随着溶剂极性的逐渐增大（3〈1〈4〈2）,最低能吸收和发射发生明显的蓝移.这显示出通过改变溶剂极性可以调节配合物的发光颜色.
简介：ItisknownthatthereexistsanisogenysortofChevalleygroupsG(∑,F)associatedtoanyindecomposablerootsystem∑andanyfieldF.InthispapertheauthordeterminesallnontfivialhomomorphismsfromG(∑,k)toG(∑,K)whentherootsystem∑isoftypeCnorG2,andthefieldskandKarefinitefieldsofcharacteristiep.
简介：TheauthorsmainlyconcernthesetUfofc∈Csuchthatthepowerdeformationzf(z)/zcisunivalentintheunitdisk|z|<1foragivenanalyticunivalentfunctionf(z)=z+a2z2+···intheunitdisk.ItisshownthatUfisacompact,polynomiallyconvexsubsetofthecomplexplaneCunlessfistheidentityfunction.Inparticular,theinteriorofUfissimplyconnected.Thisfactenablesustoapplyvariousversionsoftheλ-lemmafortheholomorphicfamilyzf(z)/zcofinjectionsparametrizedovertheinteriorofUf.ThenecessaryorsufficientconditionsforUftocontain0or1asaninteriorpointarealsogiven.
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![Two New Dicyanamide Coordination Polymers with Alternating Parallel Chains： {Mn（dmpz）[N（<b style='color:red'>CN</b>）<b style='color:red'>2</b>]<b style='color:red'>2</b>}<b style='color:red'>2</b> and {Cu（dmpz）[N（<b style='color:red'>CN</b>）<b style='color:red'>2</b>]<b style='color:red'>2</b>}<b style='color:red'>2</b>](/image/thesis2 "Two New Dicyanamide Coordination Polymers with Alternating Parallel Chains： {Mn（dmpz）[N（<b style='color:red'>CN</b>）<b style='color:red'>2</b>]<b style='color:red'>2</b>}<b style='color:red'>2</b> and {Cu（dmpz）[N（<b style='color:red'>CN</b>）<b style='color:red'>2</b>]<b style='color:red'>2</b>}<b style='color:red'>2</b>")
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![COMPUTATION OF K<b style='color:red'>2</b><b style='color:red'>Z</b>[1＋（-35的平根号）／<b style='color:red'>2</b> ]](/image/thesis12 "COMPUTATION OF K<b style='color:red'>2</b><b style='color:red'>Z</b>[1＋（-35的平根号）／<b style='color:red'>2</b> ]")
![[Os（PH_3）_<b style='color:red'>2</b>（<b style='color:red'>CN</b>）_<b style='color:red'>2</b>（N^N）]配合物的溶剂化显色效应](/image/thesis14 "[Os（PH_3）_<b style='color:red'>2</b>（<b style='color:red'>CN</b>）_<b style='color:red'>2</b>（N^N）]配合物的溶剂化显色效应")
