新型层状磷酸铝[Al6P8O32][(C2H5)2NHCH2CH2NH3]2·[C2H5NH2CH2CH2NH2C2H5] 的合成、表征及其共模板作用

在溶剂热体系中,以N,N-二乙基乙二胺为结构导向剂,合成了Al/P为3/4的层状磷酸铝Al6P8O32](C2H5)2NHCH2CH2NH3]2·C2H5NH2CH2CH2NH2C2H5]单晶,并通过X射线单晶衍射结构分析.XRD,ICP,元素分析,差热-热重分析等手段进行了表征.该化合物属单斜晶系,P2(1)/c空间群,晶胞参数:a=0.90945(2)nm,b=1.46424(4)nm,c=1.87572(5)nm,β=102.672(2)°,Z=4.其阴离子层由AlO4四面体和PO3(=O)四面体单元交替连接构成,形成四、六、八元环拓扑结构,无机层以ABAB方式堆积,两种质子化的有机胺分子N,N-二乙基乙二胺及其重排产物N,N′-二乙基乙二胺填充在层间.用分子动力学模拟方法,考察了标题化合物中有机胺与无机层间的相互作用,讨论了这两种有机胺的共模板作用.

Synthesis, Characterization and Co-template Role of a New 2-Dimensional Layered Aluminophosphate [Al6P8O32][(C2H5)2NHCH2CH2NH3)]2[(C2H5NH2CH2CH2NH2C2H5)]

In this paper, a new layered aluminophosphate, Al6P8O32](C2H5)2NHCH2CH2NH3]2·C2H5NH2CH2CH2NH2C2H5], was synthesized in the system Al(OPri)3-H3PO4-N,N-diethyl-ethylenediamine-tetraglycol. Its structure was determined by single crystal X-ray diffraction analysis, and further characterized by XRD, ICP, TG and elemental analysis. The title compound crystallizes in monoclinic space group P2(1)/c , with a=0.909 45(2) nm, b=1.464 24(4) nm, c=1.875 72(5) nm, β=102.672(2)° and Z=4. Its structure constructed by the alternation of AlO4 and PO3(=O) units contains the 4,6,8-nets stacked in an ABAB sequence. Two kinds of organic cations, diprotonnated N,N-diethylethylenediamine and its rearranged product N,N′-diethylethylenediamine locate between the adjacent layers. Their co-templating role in the formation of the title compound was also studied in terms of host-guest interaction.