Synthesis and Structure of a Manganese(Ⅱ) Complex: [Mn2·(dinitrobenzoic acid)4·(1,10-phen)2]n

The title compound, [Mn2·(dinitrobenzoic acid)4·(1,10-phen)2]n, has a linear chain structure containing binuclear [Mn2·(dinitrobenzoic acid)4(1,10-phen)2] repeat units. It crystallizes in the triclinic system, space group P1- with a = 7.9261(8), b = 12.1329(15), c = 14.847(2)(A), α = 103.845(5), β =101.424(5), γ= 92.618(4)°, Mr= 657.37, V= 1352.3(2) (A)3, Z = 2, Dc= 1.614 g/cm3, F(000) = 666, μ =0.567 mm-1, the final R = 0.0407 and wR = 0.1015 for 4081 observed reflections with I ＞ 2σ(Ⅰ). The Mn atom is six-coordinated by two N and four O atoms, forming a slightly distorted octahedral geometry. All Mn-O and Mn-N bond distances range from 2.093(2) to 2.310(2)(A). Two adjacent octahedral units are bridged together by two pairs of bi-monodentate carboxyl groups of different dinitrobenzoic acids to form an eight-membered ring with chair-typed configuration, thus generating a one-dimensional chain along the a axis.     

高聚物固体电解质聚氧化乙烯－溴化铜复阻抗谱及介电常数的静水压效应

采用分子量５００万的聚氧化乙烯和无水溴化铜，通过混溶蒸发法制备成高聚物固体电解质Ｐ（ＥＯ）ｎ－ＣｕＢｒ２薄膜，并在０．１～３００ＭＰａ范围不同的流体静水压下详细测量其复平面阻抗谱，分别得到在不同压力下离子电导率和介电常数与测量频率的关系．进一步解谱准确地求出Ｐ（ＥＯ）ｎ－ＣｕＢｒ２（ｎ＝１２、１６）薄膜离子电导率和介电常数的静水压效应，并结合Ｘ－光物相分析，根据离子迁移通道的物理图象和高聚物的极化机构进行了初步的讨论．添加２０％的增塑剂碳酸丙烯酯，较大改进了压力下的导电性．１２０～３００ＭＰａ的离子电导率提高一个数量级     

Characterization and Crystal Structure of a New Holmium(Ⅲ) Complex with the Macrocyclic Ligand Derived from 2,6-Dfformyl-4-methylphenol and Diethylenetriamine

The title compound (13,27-dimethyl-3,6,9,17,20,23-hexaazatricyclo-[23.3.1.111,15]-triaconta- 1 (29),2,9,11,13,15(30), 16,23,25,27-decaene-29,30-diol-N3,N6,N9,O29,O30)-bis(nitrato-O,O')-holmium(Ⅲ) nitrate hydrate has been prepared and characterized by elemental analysis, infrared spectra, and electrospray mass spectra. Its crystal and molecular structures were determined by X-ray diffraction methods. The crystal crystallizes in the monoclinic system, space group C2/c with a = 23.737(12), b = 14.237(7), c = 19.801(10) (A), β = 91.36(1)°, Mr = 831.57, V = 6690(6) (A)3, Z = 8,Dc = 1.651 g/cma, F(000) = 3344, R = 0.0482 and wR = 0.0923. The holmium ion is located in one of the compartments of the macrocyclic ligand and presents a distorted tricapped trigonal prismatic coordination geometry. The macrocycle is coordinated with two oxygen and three nitrogen atoms.Two nitrates are chelated in the opposite positions of the macrocycle, and the third one is ionic.     

络合吸附体系吸附性的研究

本文论述了研究络合吸附体系吸附性的重要意义,较详细地讨论了各种方法,包括微分电容曲线法、交流极谱法和计时电量法等在吸附性研究和吸附量测定中的应用。     

Solvothermal Synthesis, Crystal Structure and Electrochemical Property of Complex [Co(p-MBA)2(2,2''-bipy)(H2O)]·(H2O)

One novel complex [Co(p-MBA)2(2,2'-bipy)(H2O)]·(H2O) has been synthesized by the reaction of p-methylbenzoic acid with 2,2'-bipyridine in the solvent mixture of water and methanol. It crystallizes in triclinic, space group P-1 with a=0.70479(14), b=1.1211(2), c=1.6718(3) nm, α=103.806(3), β=90.795(3), γ=104.207(3)°, V=1.2399(4) nm3, Mr=512.41, Dc=1.373 g/cm3, Z=2, F(000)=532, μ=0.733 mm-1, R=0.0432 and wR=0.0957. The crystal structural analysis shows that the cobalt atom is coordinated with three oxygen atoms from two p-methylbenzoic acids and one water molecule and two nitrogen atoms from one 2,2'-bipyridine,forming a distorted square-pyramidal coordination geometry. The cyclic voltammetry behavior of the complex is also reported.     

Synthesis and Structural Characterization of a New Cadmium(Ⅱ) Complex Bridged by Endo-norbornene-cis-5,6-dicarboxylic Acid

A polynuclear complex [Cd(endc)(H2O)]n·nH2O (endc = endo-norbomene-cis5,6-dicarboxylate anion) has been synthesized by the hydrothermal reaction of cadmium nitrate tetrahydrate with endo-norbomene-cis-5,6-dicarboxylic acid in 1:1 molar ratio,and structurally characterized by single-crystal X-ray diffraction.It crystallizes in monoclinic,space group P21/c with a = 1.16471(7),b = 0.95334(7),c = 0.91109(9) nm,Z = 4,V= 1.01035(14)nm3,Dc.= 2.160 g/cm3,μ= 2.172 mm-1,F(000) = 648,R =0.0302 and wR = 0.0752.According to structural analysis,each Cd(Ⅱ) ion is coordinated to six O atoms from three endc anions and one water molecule,giving a distorted octahedral geometry.Two- dimensional layer arrangement of the title complex is constructed from the bridging nature of endc.It is worth notice that adjacent two-dimensional layers are joined together to form a three-dimensional supramolecular framework via intermolecular hydrogen bonding interactions.     

Synthesis and Crystal Structure of Complex [Pb(qina)2(DMSO)]·H2O

A novel complex [Pb(qina)2(DMSO)]·H2O was synthesized, of which qina- is the quinaldic acid radical and DMSO the dimethyl sulfoxide. Elemental analysis, IR spectra, and X-ray single-crystal diffraction were carried out to determine the composition and crystal structure. This complex belongs to monoclinic system, space group P121/n1, with a = 7.1553(17), b = 17.543(2), c = 17.306(2)(A),β = 91.671(4)°, C22H20N2O6PbS, Mr = 647.65, Z = 4, V= 2171.5(6)(A)3, Dc= 1.981g/cm3,μ = 7.908 mm-1, F(000) = 1248, -9≤h≤6, -23≤k≤ 19, -22≤l≤22, R= 0.0221 and wR =0.0488. Weak coordinate bond is formed between oxygen atom in DMSO and Pb(Ⅱ ). There are also weak interactions, such as π-π interaction, hydrogen bonds and so on, among the complex molecules.     

喹喔啉—2,3—二甲酰胺与3d过渡金属配合物的合成及性质研究

首次合成了喹喔啉－２，３－二甲酰胺（Ｑｘｄａ）与３ｄ过渡金属的三种固体配合物：Ｍ（Ｑｘｄａ）２ｃｌ２（Ｍ＝Ｃｏ（Ｉ），Ｎｉ（Ｉ），Ｃｕ（Ⅱ）。通过元素分析，摩尔电导，红外光谱，电子光谱，磁化率，热分析等手段对配合物的组成和性质进行了研究。     

A new method for the direct calculation of resonance parameters with application to the quasibound states of the H2X1Σ g + system

A new method for the direct calculation of resonance parameters is presented. It is based upon searching for poles of the scattering matrix at complex energies. This search is expedited by the use of analytic derivatives of the scattering matrix with respect to the total energy. This procedure is applied initially to a single channel problem, but is generalizable to more complicated systems. Using the most accurate available potential energy data, we calculate resonance parameters for all of the physically important quasibound states of the ground electronic state of the hydrogen molecule. Corrections to the Born-Oppenheimer potential are included and assessed. The new method has no difficulty locating resonances with widths greater than about 1×10^–7 cm^–1. It is easier to find narrow resonances by monitoring the dependence of the imaginary part of the reactance matrix on the real part of a complex energy than to monitor the dependence of the eigenphase sum on energy at real energies.     

高分子钯络合物催化的亚胺化合物的加氢反应

制备了一系列以二氧化硅为载体的侧链上含有各种氮配位基团的聚硅氧烷-钯络合物,这些高分子钯络合物能够在常温常压下催化亚胺化合物的加氢反应并表现出不同程度的催化活性.对其中聚-(N,N-二乙酰基)-γ-氨丙基硅氧烷-钯络合物催化的亚苄基苯胺的加氢反应做了比较深入的研究,发现该催化剂在反应中是稳定的并给出唯一的加氢产物,络合物中的N/Pd原子比、反应温度以及不同底物对反应速度的影响也被报道.