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采用共模板法以二乙胺和1,2-丙二胺为模板剂,合成了过渡金属取代的二维层状磷酸铝化合物[C4H11N]0.77[C4H1 2N]0.23[C3H12N2]2[Co0.2 3Al5.77P8O32][H3O]2(1).通过X射线衍射(XRD)、热重分析(TG)、元素分析(ICP-AES及CHN)、固体紫外-可见分析(Solid-UV-Vis)及扫描电子显微镜(SEM)等对化合物1进行了表征.该化合物属三斜晶系,P 1-空间群,晶胞参数a=0.95029(19)nm,b=1.2689(3)nm,c=1.2987(3)nm,α=118.70(3)°,β=97.64(3)°,γ=99.72(3)°,V=1.3117(5)nm3,Z=1.其无机骨架由铝(或钴)氧四面体(AlO4或CoO4)和磷氧四面体PO3(O)严格交替连接形成4,6,12-网层结构,无机层沿[001]方向堆砌成一维十二元环孔道.Co无序取代Al的位置,其Co/Al摩尔比约为1∶25.1.运用分子动力学模拟的方法,通过计算有机模板剂和无机骨架的相互作用,讨论了2种有机胺分子的共模板作用.
The transition metal-substituted 2D layered aluminum phosphate [C4H11N] 0.77 [C4H1 2N] 0.23 [C3H12N2] 2 [Co0.2 (ICP-AES and CHN), solid-UV-Vis and The compound 1 belongs to the triclinic system, P 1- space group, with the unit cell parameters of a = 0.95029 (19) nm, b = 1.2689 (3) nm and c = 1.2987 (3) nm, α = 118.70 (3) °, β = 97.64 (3) °, γ = 99.72 (3) ° and V = 1.3117 (5) nm3 and Z = 1. The inorganic framework consists of aluminum (or cobalt) The oxygen tetrahedron (AlO4 or CoO4) and the phosphorus oxy tetrahedron PO3 (O) are strictly alternately connected to form a 4,6,12-net layer structure, and the inorganic layer is piled into a one-dimensional 12-membered ring pore channel in the direction of [001] The molar ratio of Al to Al is about 1:25.1. By using the method of molecular dynamics simulation, the interaction between organic template and inorganic framework is discussed and the effect of common template of two organic amine molecules is discussed.