高等学校化学学报

高等学校化学学报 ›› 1994, Vol. 15 ›› Issue (5): 631.

• 论文 •    下一篇

正交晶系下AlPO4-5类似物的骨架拓扑结构设计

徐翊华, 杨军涛, 沙秀红, 李宝宗, 徐如人   

  1. 吉林大学合成与催化研究所, 长春, 130023
  • 收稿日期:1993-07-30 修回日期:1994-01-27 出版日期:1994-05-24 发布日期:1994-05-24
  • 通讯作者: 徐翊华,男,53岁,副教授.
  • 作者简介:徐翊华,男,53岁,副教授.
  • 基金资助:

    国家科委"攀登"计划项目

The Design of Topological Framework Structure for Analogues Correlated to AlPO4-5 in the Orthorhombic System

XU Yi-Hua, YANG Jun-Tao, SHA Xiu-Hong, LI Bao-Zong, XU Ru-Ren   

  1. Institute of Synthetic and Catalytic Chemistry, Jilin University, Changchun, 130023
  • Received:1993-07-30 Revised:1994-01-27 Online:1994-05-24 Published:1994-05-24

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摘要： AlPO4-5分子筛是一种典型的具有十二元环主孔道的磷铝分子筛。它的骨架拓扑结构属六方晶系,我们发现这一结构可以演变成很多正交构型的骨架结构,本文采用计算机技术,在正交晶系中设计了与六方AlPO4-5结构相关的64种分子筛骨架拓扑结构,并计算了它们的理论XRD谱图,讨论了它们存在的可能性,一个具有正交AlPO4-5合成样品的XRD谱图与所设计的结构中一个XRD理论谱图吻合,证实了正交构型AlPO4-5的存在。

关键词: AlPO4-5, 正交晶系, 骨架拓扑结构

Abstract: AlPO4-5 molecular sieve is one of typical aluminophosphates molecular sieves,which has a main porous system of 12 member rings. It belongs to hexagonal system. Now we had found the structure can be derived into a lot of orthogonal framework structures. In this paper, the 64 topological framework structures of analogues correlated to AlPO4-5 in the orthorhombic system have been designed by the computer modelling technique. Their theoretical X-ray powder diffraction patterns have beem calculated, and the probability of their existence has been discussed. The X-ray powder diffraction patterns of a synthesized orthogonal AlPO4-5 are in good agreement with the theoretical ones, It proves the existence of materials of orthogonal AlPO4-5.

Key words: AlPO4-5, Orthorhombic system, Framework topological structure

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