Synthesis and Characterization of a New Layered Aluminophosphate [Al3P4O16][(CH3)2NHCH2CH2NH(CH3)2][H3O] |
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Authors: | Wenfu YanJihong Yu Yi LiZhan Shi Ruren Xu |
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Affiliation: | State Key Lab of Inorganic Synthesis and Preparative Chemistry, Jilin University, Changchun, 130023, Peoples Republic of China |
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Abstract: | A new layered aluminophosphate, denoted AlPO-CJ12, has been synthesized in the system Al(OPri)3-H3PO4-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 [Al3P4O16][(CH3)2NHCH2CH2NH(CH3)2][H3O], 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, R1=0.0451, and wR2=0.1094. The alternation of tetrahedral AlO4 and PO3 (=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. |
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Keywords: | layered aluminophosphate synthesis structure computational simulation. |
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