4, 4'-二(1-咪唑基)苯硫醚及邻苯二甲酸构筑的两个配位聚合物的合成、晶体结构及荧光性质

在温和的水热条件下,以4,4'-二(1-咪唑基)苯硫醚(BIDPT)和邻苯二甲酸(H₂pht)为配体,合成了2个配位聚合物{[Zn(BIDPT)(pht)]₂·2H₂O·CH₃OH}_n(1)和{[Cd₅(BIDPT)₄(pht)₅]·H₂O}_n(2),分别用X-射线单晶衍射、元素分析和IR等手段对它们进行了表征。结果表明,配位聚合物1和2为2D层状结构,配位聚合物1属于正交晶系,Pbcn空间群;配位聚合物2属于三斜晶系,P2₁/c空间群。此外还考察了1和2的热稳定性和固体荧光性质。     

二铜配合物[Cu2（NPG）4（4,4＇-bipy）2（H2O）2]·2H2O的合成、晶体结构及热性能分析

用溶液法合成了标题化合物[Cu2（NPG）4（4,4＇-bipy）2（H2O）2]·2H2O（HNPG=邻苯二甲酰甘氨酸4,4＇-bipy=4,4＇-联吡啶）,并通过X射线衍射对其单晶结构进行了测定.该结构属于三斜晶系,空间群P1,分子量Mr=1328.14,晶胞参数a=0.85512 （15）nm,b=1.7083 （3）nm,c=2.1115（4）nm,V=2.9996（9）nm3,Z=2,Dc=1.470g·cm-3,F（000）=1364.0.Cu（Ⅱ）配位形成变形的三角双锥构型,配合物的分子间和分子内氢键及π-π堆积将其拓展为三维结构,并对稳定晶体结构起着重要的作用.     

{Mn（IBG）（4,4＇-bipy）（H2O）2}·2H2O配合物的合成、结构和热稳定性

合成了标题化合物{Mn（IBG）（4,4＇-bipy）（H2O）2}·（H2O）2（H2IBG =1,3-苯二甲酰二甘氨酸,4,4＇-bipy=4,4＇-联吡啶）,并通过X-射线衍射对其单晶结构进行了测定.该结构属于三斜晶系,空间群P-1,分子量Mr=561.41,晶胞参数a=0.90278（8）nm,b=1.16584（1）nm,c=1.31133（1）nm,V=1.21309（2）nm3,Z=2,Dc=1.537g·cm-3,F（000）=582.0.由于分子间氢键,使得分子结构更趋稳定.通过红外光谱、热重分析等对化合物进行了表征.     

一维[Pd(mnt)2]-自旋体系磁交换作用的密度泛函理论(DFT)分析

4个一维磁链化合物[R-BzPy][Pd(mnt)2](R-BzPy+=对位取代苄基吡啶阳离子;R=Cl(化合物1),Br(化合物2),I(化合物3)和NO2(化合物4))具有相似的晶体堆积结构,即,[Pd(mnt)2]-和R-BzPy+分别形成完全分列的柱状堆积。这一结构特征与其类似化合物[R-BzPy][Ni(mnt)2]相似。但是,[Pd(mnt)2]-和[Ni(mnt)2]-2个系列化合物结构之间存在明显差异:(1)室温下,[R-BzPy][Ni(mnt)2]晶体中[Ni(mnt)2]-和R-BzPy+堆积柱是均匀的;而[R-BzPy][Pd(mnt)2]晶体中[Pd(mnt)2]-和R-BzPy+堆积柱是不均匀的。(2)在两个系列化合物阴离子堆积柱内,相邻[Pd(mnt)2]-分子平面之间距离比相邻[Ni(mnt)2]-分子平面之间距离短。在[Pd(mnt)2]-堆积柱内,[Pd(mnt)2]-离子之间反铁磁交换作用非常强,导致了化合物几乎呈抗磁性。在密度泛函理论框架下,利用对称性破损方法,我们计算了[Pd(mnt)2]-离子之间磁交换常数。在svwn/lanl2dz和bpw91/lanl2dz水平上的计算结果与磁化率拟合结果一致。理论分析揭示,在[Pd(mnt)2]-堆积柱内,[Pd(mnt)2]-离子之间强反铁磁交换与其π-型前线轨道有效重叠密切相关。     

Effect of pH and ionic strength on U(IV) sorption to oxidized multiwalled carbon nanotubes

Multiwalled carbon nanotubes (MWCNTs) have attracted multidisciplinary study because of their unique physicochemical properties. Herein, the sorption of U(VI) from aqueous solution to oxidized MWCNTs was investigated as a function of contact time, pH and ionic strength. The results indicate that U(VI) sorption on oxidized MWCNTs is strongly dependent on pH and ionic strength. The sorption of U(VI) is mainly dominated by surface complexation and cation exchange. The sorption of U(VI) on oxidized MWCNTs is quickly to achieve the sorption equilibrium. The sorption capacity calculated from sorption isotherms suggests that oxidized MWCNTs are suitable material in the preconcentration and solidification of U(VI) from large volumes of aqueous solutions.     

Wireless sensing determination of uranium(IV) based on its inhibitory effect on a catalytic precipitation reaction

The adsorption of Eu(III) on multiwalled carbon nanotubes (MWCNTs) as a function of pH, ionic strength and solid contents are studied by batch technique. The results indicate that the adsorption of Eu(III) on MWCNTs is strongly dependent on pH values, dependent on ionic strength at low pH values and independent of ionic strength at high pH values. Strong surface complexation and ion exchange contribute to the adsorption of Eu(III) on MWCNTs at low pH values, whereas surface complexation and surface precipitation are the main adsorption mechanism of Eu(III) on MWCNTs. The desorption of adsorbed Eu(III) from MWCNTs by adding HCl is also studied and the recycling use of MWCNTs in the removal of Eu(III) is investigated after the desorption of Eu(III) at low pH values. The results indicate that adsorbed Eu(III) can be easily desorbed from MWCNTs at low pH values, and MWCNTs can be repeatedly used to remove Eu(III) from aqueous solutions. MWCNTs are suitable material in the preconcentration and solidification of radionuclides from large volumes of aqueous solutions in nuclear waste management.     

Determination of the number of J/ψ events with J/ψ → inclusive decays

The number of J/ψ events collected with the BES0 detector at the BEPC/ from June 12 to July 28, 2009 is determined to be (225:3±2:8)×10⁶ using J/ψ → inclusive events, where the uncertainty is the systematic error and the statistical one is negligible.     

Domination numbers of undirected toroidal mesh

The (d, m)-domination number γd,m is a new measure to characterize the reliability of resources-sharing in fault tolerant networks, in some sense, which can more accurately characterize the reliability of networks than the m-diameter does. In this paper, we study the (d, 4)-domination numbers of undirected toroidal mesh Cd1 × Cd2 for some special values of d, obtain that γd,4 (Cd1 × C3) = 2 if and only if d4(G) e1 ≤ d d4(G) for d1 ≥ 5, γd,4 (Cd1 × C4) = 2 if d4(G) (2e1-[d1+e1]/2) ≤ d d4(G) for d1 ≥ 24, and γd,4 (Cd1 × Cd2 ) = 2 if d4(G) ( e1-2) ≤ d d4(G) for d1 = d2 ≥ 14.     

一类非线性中立型分数阶泛函微分方程正解的存在性(英文)

本文考虑一类非线性中立型分数阶泛函微分方程.利用锥拉伸与锥压缩不动点定理对问题进行讨论,得到了这类中立型分数阶泛函微分方程正解的存在性.     

Divide line between relaxor,diffused ferroelectric,ferroelectric and dielectric

The dielectric spectroscopic studies of relaxor ferroelectric Ba(Ti_0.70Sn_0.30)O₃ (BTS30), diffused ferroelectric Ba(Ti_0.70Sn_0.20)O₃ (BTS20), classical ferroelectric BaTiO₃ (BT0), and normal dielectric Ba(Fe_0.50Ta_0.50O₃) (BFT) were carried out in the temperatures ～100 K–650 K, and frequencies ～100 Hz–1 MHz, which showed relaxor behavior at 130 K with typical 30 K frequency dispersion, perfect diffused ferroelectric character at 190 K, classical ferroelectric, and dielectric relaxation at 450 K–550 K respectively. A divide line was sketched between the relaxors, ferroelectrics and normal dielectrics based on the Maxwell–Wagner space charge model. The impedance spectroscopy and ac conductivity spectroscopy were carried out to explain the relaxor and pseudo relaxor behavior.