Synthesis and Characterization of a New Layered Aluminophosphate [Al 3P 4O 16][(CH 3) 2NHCH 2CH 2NH(CH 3) 2][H 3O

Abstract

A new layered aluminophosphate, denoted AlPO-CJ12, has been synthesized in the system Al(OPr i) 3–H 3PO 4–tetramethylethylenediamine–triethyleneglycol and its structure solved by single-crystal X-ray diffraction analysis. It is further characterized by X-ray powder diffraction, ICP, TG, DTA, and elemental analyses. The compound has an empirical formula of [Al 3P 4O 16][(CH 3) 2NHCH 2CH 2NH(CH 3) 2][H 3O], and crystallizes in the triclinic space group P-1 (No. 2) with a=8.9907(6) Å b=9.8359(6) Å, c=14.5566(8) Å, α=75.872(3)°, β=88.616(3)°, γ=63.404(3)°, Z=2, R 1=0.0451, and w R 2=0.1094. The alternation of tetrahedral AlO 4 and PO 3 (=O) units forms a sheet structure with a 4×6×8 network. The inorganic layers stacked in an AAAA sequence are held together by the protonated organic amine and water molecules. The co-templating role of the water molecules is studied by the calculation of the nonbonding host–guest interaction energies through a computational simulation.