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

Abstract

This work presents our current progress on the rational design and synthesis of aluminophosphates with 2-D layer and 3-D open-framework structures. For the design of theoretical structures, we take two ways, one is using building 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 various amines in the formation of 2-D network or 3-D open-framework aluminophosphates can be evaluated in terms of non-bonding interaction energies of the guest templates and the host inorganic networks or frameworks. This well assists in the rational synthesis of target materials, with the good examples as 2-D Al 3P 4O 16 3− anionic layers, and 3-D Al 4P 5O 19(OH) 2− open frameworks 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-dimensional chain through incorporation of transition metal cations as illustrated by the successful synthesis of a 3-D open-framework nickel aluminophosphate [NiAlP 2O 8][C 2N 2H 9].