Towards rational design and synthesis of aluminophosphates with 2-D layer and 3-D open-framework structures

This work presents our current progress on the rational design and synthesi s of aluminophosphates with 2-D layer and 3-D open-framework structures. Fo r the design of theoretical structures, we take two ways, one is using buil ding block construction strategy to construct new 2-D networks and 3-D open frameworks. The other is using computer modeling method to systematically enumerate the theoretical network structures. The templating abilities of v arious amines in the formation of 2-D network or 3-D open-framework alumino phosphates can be evaluated in terms of nonbonding interaction energies of the guest templates and the host inorganic networks or frameworks. This wel l assists in the rational synthesis of target materials, with the good exam ples as 2-D Al3P4O163- anionic layers, and 3-D Al4P5O19(OH)(2-) open framew orks with structures analogous to AlPO-HDA (HDA: 1,6-hexanediamine). On the other hand, 3-D open framework can be rationally assembled by a lower-dime nsional chain through incorporation of transition metal cations as illustra ted by the successful synthesis of a 3-D open-framework nickel aluminophosp hate [NiAlP2O8][C2N2H9]. (C) 2001 Elsevier Science B.V. All rights reserved .