有序大孔TiO2的制备

聚苯乙烯;模板剂法;溶胶-凝胶法;有序大孔TiO2的制备     

Synthesis, Crystal Structure and Luminescent Property of the One-dimensional Chain Chlorodibenzyltin 2-Quininate

A one-dimensional chain chlorodibenzyltin 2-quininate has been synthesized and characterized by IR, NMR spectra and elemental analysis. The crystal structure has been determined by X-ray diffraction. The crystal belongs to the monoclinic system, space group I4(—) with a = 19.1171(10), b = 19.1171(10), c = 12.5158(6) , Z = 8, V = 4574.1(4) 3, Dc = 1.477 g·cm-3, μ(MoKα) = 1.252 mm-1, F(000) = 2032, R = 0.0259 and wR = 0.0723. In the complex, the tin atom is six-coordinated to adopt a distorted octahedral configuration with bridging carboxyl of quinoline-2-carboxylic acid. The result of fluorescence spectrum analysis shows that the title complex at room temperature exhibits an intense photoluminescence with maximum emission at 364.2 nm (λex = 303.0 nm).     

配合物[Mn(2,2′-bipy)(H_2O)_4]·(m-phth)的水热合成和晶体结构(英文)

0IntroductionAs the active sites of several mononuclear en-zymes are five-or six-coordinate manganese speciescontaining coordinated carboxylate groups,water andnitrogen-donor molecules research on the coordinationcompounds of manganese with such coligands hasgrown[1,2].There has been extensive interest in man-ganese chemistry due to the involvement of manganesein many biosystems and magnetic materials[3￣5].Theisophthalate as a potential bidentate ligand seemsquite suitable for self-assembly s…     

长余辉发光材料研究进展

长余辉发光材料是一类重要的光-光转换和节能材料。这类材料在工农业生产、军事、消防和人们生活的许多方面得到广泛应用。本文主要结合本课题组近年在长余辉发光材料领域的研究工作,综述长余辉发光材料的研究进展,并对今后的发展方向进行展望。     

梯形结构二(对甲基苄基)锡氧(氯)簇合物的合成、结构及量子化学研究

二(对甲基苄基)二氯化锡和氢氧化钠溶液反应,合成了梯形结构二(对甲基苄基)锡氧(氯)簇合物,经X-射线衍射测定了其晶体结构。属三斜晶系,空间群为P1,晶体学参数a=0.979 52(16) nm,b=1.313 8(2) nm,c=1.419 5(2) nm,α=62.965(10)°,β=88.551(12)°,γ=73.709(11)°,V=1.550 5(5) nm³,Z=1,D_c=1.563 g·cm^-3,μ(Mo Kα)=17.38 cm^-1,F(000)=727,R=0.024 2,wR=0.057 9。簇合物为由Sn₂O₂构成的平面四元环形成的1个中心内环和2个由Sn₂OCl(O)构成的平面四元外环组成的梯形结构。锡原子均为五配位三角双锥构型。对其结构进行量子化学从头计算,探讨了配合物的稳定性、分子轨道能量以及一些前沿分子轨道的组成特征。     

[Cu(m-NBA)(2，2′-bipy)(H2O)2]·m-NBA·H2O的合成、晶体结构及电化学性质

铜是生物体中的微量元素,在生命过程中起着递传电子、输运氧,以及清除超氧负离子等重要作用[1].芳酸与铜等过渡金属离子构筑的配合物,多数具有新颖结构和特殊性能,广泛应用于生物无机化学、催化、医药、材料等领域,因而备受研究者们的关注[2-8].     

二组元酞菁固相混合法裂解合成直立碳纳米管

通过向两种金属酞菁的混合物添加一定量的硫粉,在800～950 ℃裂解合成了大面积的直立碳纳米管。采用场发射扫描电镜(FE-SEM)、高分辨透射电镜(HRTEM)和拉曼光谱对产物进行了观察和表征,结果显示：所合成的碳纳米管(直径为15～35 nm,长度为200～800 nm)管身平直,具有很好的石墨化程度,且杂质很少。采用两种金属酞菁((M(Ⅱ)Pc, M=Fe, Co))进行混合裂解时,既可以提供碳源,而且可以产生相当均匀的催化剂颗粒,有利直立碳纳米管的沉积。这种将两种酞菁进行固相混合裂解的方法,相当安全高效,有利于大规模生产直立碳纳米管。     

环状二聚三(邻甲基苄基)氢氧化锡的合成、结构及量子化学研究

三(邻甲基苄基)锡氯化锡在氢氧化钠溶液中水解, 合成了环状二聚三(邻甲基苄基)氢氧化锡, 经X射线衍射方法测定了化合物的晶体结构, 属三斜晶系, 空间群为P-1, 晶体学参数: a＝1.00530(18) nm, b＝1.03580(18) nm, c＝1.08182(18) nm, α＝90.151(3)°, β＝108.317(3)°, γ＝94.871(3)°, V＝1.0650(3) nm3, Z＝1, Dc＝1.380 g/cm3, m(Mo Kα)＝0.1205 cm－1, F(000)＝451, R1＝0.0330, Rw＝0.0822. 化合物为由Sn2O2构成的平面四元环结构, 锡原子为五配位的三角双锥构型. 对其结构进行量子化学从头计算, 探讨了化合物的稳定性、分子轨道能量以及一些前沿分子轨道的组成特征.     

2，2-联吡啶-3，3-二羧酸桥联的具有2D网格结构的Mn配位聚合物的合成、晶体结构

A Manganese(Ⅱ) polymer {[Mn(bpdc)(bipy)(H₂O)]·4.5H₂O}_n has been synthesized (bpdc=2,2-bipyridine-3,3-dicarboxylate,bipy=4,4-bipyridine) and characterized by IR, UV, elemental analysis and X-ray crystal structure determination . It crystallizes in Monoclinic system, space group P2/n with a=1.010 13(8) nm, b=1.164 66(9) nm, c=2.147 40(16) nm, β=98.22 20(10)°, V=2.500 4(3) nm³, Z=4, D_c=1.467 g·cm^-3, F(000)=1 144, R₁=0.049 0, wR₂=0.141 2. The crystal structure shows that the Mn²⁺ ions have octahedral coordination geometry with two coordination situations. The Mn²⁺ (1) ion is coordinated with two N atoms of two bipy, and chelated by four O atoms from four carboxylate groups of two bpdc ligands. The neighbor Mn²⁺ (2) ion is coordinated with two oxygen atoms from two water, two N atoms of two 4,4-bipy and two O atoms from two carboxylate groups of two bpdc ligands. Mn(1) and Mn(2) ions are bridged by bpdc and bipy ligands, forming a novel 2D network. CCDC: 651043.     

THE DETERMINATION OF THE COMPUTATIONAL DEGREES OF FREEDOM OF BAR SYSTEMS1)

为了简化和统一结构力学教材中杆件体系计算自由度$W$的算法,本文提出了“直接法”。该方法以相邻节点间的杆件和结点为分析对象,对于含$m$根杆件、$g$ 个单刚结点和$h$个单铰结点的平面杆件体系,直接法给出计算自由度公式$W=3m-(3g+2h$)。相比于已有方法,直接法研究对象清晰,数学运算统一,适合于编程计算,便于初学者准确而快速计算复杂体系的$W$;也为结构超静定次数的确定提供了一种简单有效的数值算法。