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New Insights of Di-n-propylamine (DPA) Molecule as an Organic Structural Directing Agent (OSDA) in the Crystallization of AlPO4-11 Molecular Sieve

Abstract

Advanced solid-state NMR techniques including PT-J-HMQC 27Al/31P double-resonance NMR, 2D 31P and 1H DQ-SQ MAS NMR experiments have been used to study structural directing effect in the crystallization of molecular sieve AlPO4-11 synthesized by solvent-free method. For the first time, our studies clearly demonstrate the mechanism on crystallization of molecular sieve AlPO4-11 in the following: (i) the organic template of di-n-propylamine (DPA) molecules can effectively induce the transformation from the 4- and/or 6-MR chains to 2D layered structure through H-bond interactions; (ii) the formation of a “twin” molecule (two-DPA) drives the transformation from 2D layered structure to 3D crystals. Theoretical calculations further confirm that the formation of the “twin” DPA molecule is thermodynamically stable in the channels of AlPO4-11. The deep understanding on the OSDAs in the crystallization is potentially important for design and synthesis of aluminophosphate-based molecular sieves with novel structures and new routes.

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Publication details

The article was accepted on 08 May 2018 and first published on 08 May 2018


Article type: Research Article
DOI: 10.1039/C8QI00346G
Citation: Inorg. Chem. Front., 2018, Accepted Manuscript
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    New Insights of Di-n-propylamine (DPA) Molecule as an Organic Structural Directing Agent (OSDA) in the Crystallization of AlPO4-11 Molecular Sieve

    F. Xiao, N. Sheng, Y. Chu, S. Xin, Q. Wang, X. Liu, J. Xu and F. Deng, Inorg. Chem. Front., 2018, Accepted Manuscript , DOI: 10.1039/C8QI00346G

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