Crystal Structure of[PrAl(CF3COO)2(CF3CHOO)(C2H5)2(C4H8O)2]2

[PrAl(CF3COO)2(CF3CHOO)(C2H5)2(C4H8O)2]2 Mr=1420.56, monoclinic, P21/n, a=10.651(6), b=24.276(9), c=11.110(5)(), β=107.650(4)°, V=2737.4(1)()3, Z=2, Dc=3.45 g/cm3, F(000)=2816, T=233K, MoKα radiation (λ=0.71069()), μ(MoKα)=38.017 cm-1, R=0.048 for 2847 observed reflections (I≥3σ(I)). It is isostructural with [LnAl(CF3COO)2(CF3CHOO)-R2(C4H8O)2]2 (Ln=Ho, R=Et; Ln=Nd, Y, R=iBu). Pr3+ is coordinated by eight oxygen atoms from five bridging ligands and two THF forming a distorted bicap-prism.     

Crystal Structure of 〔PrAl(CF_3COO)_2(CF_3CHOO)(C_2H_5)_2(C_4H_8O)_2〕_2

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Ca2B2O5的电子结构和能带结构

合成了标题化合物,在已测晶体结构的基础上,利用含组态作用的INDO/S方法计算了其他电子能带结构;利用态求和方法计算了微结构分子的线性极化率及其晶体的平均折射率。分析结果表明,价带主要由B^3^+和O^2^-离子的价轨道的贡献,导带底部主要由Ca^2^+离子轨道的贡献,从O^2^-离子到Ca^2^+离子的电荷转移对线性极化率起主要贡献。     

Photocatalytic reduction of dichromate by titanium dioxide supported on hollow glass microbeads

The photocatalytic reduction of dichromate using TiO2/beads as a photocatalyst was studied. The results showed that 3.8 × 10-4 mol/dm3 of dichromate can be completely reduced into Cr3 after illumination for 35 min with a 375 W medium pressure mercury lamp. The effects of factors such as the amount of TiO2/beads , initial concentration of dichromate, initial pH, nitrogen and oxygen atmosphere, and concentration of Fe3 on the photocatalytic reduction of dichromate were investigated. A possible mechamism of the photocatalytic reaction was proposed. After illumination for 200 h, no significant loss of photocatalytic activity of TiO2/beads was observed.     

Efficient Isomerization for Preparing thans-2,2-Dimethyl-3-(2,2-dichloroethenyl) cyclopropanecarbonyl Chloride

2,2-Dimethyl-3-(2,2-dichloroethecyclopropanecarbonylchloride(hereafterreferredtoaspermethricacidchloride)isausefulintermediateforthepreparationofsomesyntheticpyrethroids,suchaspermethrinandcypermethrin.Permethricacidchloridehasageometricalisomericpair,oiLyandtrans,owingtoitscyclopropanering.Itisknownthat,ingeneral,theestersderivedfromtheirans-isomerarelesstoxictomammalsthanthosederivedfromtheets-isomerl--3.Thepermethricacidproducedindustriallyisalwaysinformsofmixturesoftrans-andets-isomers.Ac…     

Synthesis of Asymmetric 4H-1, 3, 2-Benzodioxaphosphorin 2-Sulfides from Intramolecular Cyclization Reaction

Avarietyofbiologicalactivitiesofsome4H-l,3,2-benzodioxaphosphorin2-sulfideshavebeenreported,forexampletheinsecticideSalithionl.Thecyclicphosphonothionateshavebeenpreparedbyintermolecularcondensationofphosphorodichloridothioateswithsalicylalcoholoritsderivativesinthepresenceofabase=,andbyintramolecularcyclizationreactionofthesalicylalasthestartingmaterial3.However,theintramolecularcyclizationreactionofthe2-hydrobenzophenonesandstereochemicalstudieshavenotbeenreported.Wenowdescribeanewsynthesis…     

UNIQUE CONTINUATION ON A HYPERPLANE FOR WAVE EQUATION

51.IntroductionTheuniquecontinuationisthat,ifasolutionofapartialdifferentialequationvanishesinanopenset,thenitmustvanishontheconnectedcomponentwhichcontainsthisopenset.Itiswellunderstoodforellipticoperatorsofthesecondorder.In1939,Carleman[2]showedauniquecontinuationtheoremforsystemsofpartialdifferentia1equationsinthetwodimensionalcasewhosecoefficientsarenotanalytic.Thepowerfu1techniquewhichheproposediscal1edaCaJrlemanestimateandhasplayedacentralroleinthedevelopmentofuIilquecontinuationaJrgum…     

含弥散平面两相渗流驱动问题有限元方法的误差分析

研究了平面两相渗流可压缩问题含弥散情形的矩形有限元格式．引进一类插值算子,通过插值函数证明了有限元解的最优误差估计．     

保面积单调扭转映射的非Birkhoff周期轨的存在性 *

主要研究无穷圆柱面上的恰当的保面积单调扭转映射的Birkhoff不稳定性区域内的动力学性质 .运用Aubry-Mather理论的变分方法 ,给出了无穷多的非Birkhoff周期轨的存在性 :若以某无理数ω为旋转数的不变曲线不存在 ,则对固定的充分接近ω的有理数p/q ,存在无穷多的非Birkhoff周期轨 .     

钠原子光电离过程中角分布参数β的计算

运用多体微扰理论方法 ,对开壳层钠原子的内壳层电子的光电离过程2p⁶3s→ 2p⁵ 3skl中分波散射截面和角分布参数进行了计算 .在计算中包括了 2s→ 3p的共振结构 .同时利用多体微扰理论的图式 ,对主要的电子关联相互作用进行了分析 ,并对RPA和BO关联的主要贡献项计算达到了无穷级近似 .计算结果与实验吻合较好 .