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Towards Rational Synthesis of Microporous Aluminophosphate AlPO4-21 by Hydrothermal Combinatorial Approach

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Abstract

We present a strategy toward the rational synthesis of microporous materials by combination of computational and combinatorial approach. In terms of nonbonding interaction energies of host–guest calculated by the molecular dynamics simulations using Cerius2package, the templating abilities of various organic amines in the formation of microporous aluminophosphate AlPO4-21 have been evaluated. Through rational selection of the predicted suitable templates, such as ethanolamine, trimethylamine and N, N, N′, N′-tetramethylenediamine, AlPO4-21 has been successfully synthesized by hydrothermal combinatorial approaches in the reaction system 1.0Al(iOPr)3-xH3PO4-yR-255.0H2O (R amines). The as-synthesized products are characterized by automated X-ray powder diffraction, ICP, TG, and single-crystal X-ray diffraction analyses. Their framework structures belong to zeotype AWO, which possesses eight-membered ring channels along [001] direction.

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Authors and Affiliations

  1. State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun, 130012, P.R. China

    Yu Song, Jiyang Li, Jihong Yu, Kaixue Wang & Ruren Xu

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  1. Yu Song
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  2. Jiyang Li
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  3. Jihong Yu
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  4. Kaixue Wang
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  5. Ruren Xu
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Correspondence to Ruren Xu.

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Song, Y., Li, J., Yu, J. et al. Towards Rational Synthesis of Microporous Aluminophosphate AlPO4-21 by Hydrothermal Combinatorial Approach. Top Catal 35, 3–8 (2005). https://doi.org/10.1007/s11244-005-7627-2

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