Distribution of Si Sites in Silicoaluminophosphates SAPO-5 and SAPO-11 According to Solid-State NMR Spectroscopy and DFT Calculations | Sciact - CRIS-system of Boreskov Institute of Catalysis

Distribution of Si Sites in Silicoaluminophosphates SAPO-5 and SAPO-11 According to Solid-State NMR Spectroscopy and DFT Calculations Full article

Journal

Microporous and Mesoporous Materials
ISSN: 1387-1811 , E-ISSN: 1873-3093

Output data

Year: 2026, Volume: 401, Article number : 113940, Pages count : 11 DOI: 10.1016/j.micromeso.2025.113940

Funding (1)

Russian Science Foundation

23-13-00151

Microporous silicoaluminophosphates (SAPO-n) attract much interest in the field of heterogeneous catalysis as acidic catalysts and catalyst supports that provide steric constraints on the reactants. The acidic properties of SAPO-n depend on the distribution of Si sites in the framework (e.g. isolated Si sites, Si patches), which remains a highly discussed topic. In this work, we use solid-state NMR spectroscopy of 29Si-enriched SAPO-5 and SAPO-11 in combination with DFT calculations to determine the location of Si sites in the corresponding frameworks and characterize the associated Brønsted acid sites. Using a probabilistic approach, we find the preferred sites for Si substitution and the preferred directions of the OH bonds in the hydroxy groups.

Yakovlev I.V. , Toktarev A.V. , Papulovskiy E.S. , Cherepanova N.E. , Shubin A.A. , Lapina O.B.
Distribution of Si Sites in Silicoaluminophosphates SAPO-5 and SAPO-11 According to Solid-State NMR Spectroscopy and DFT Calculations
Microporous and Mesoporous Materials. 2026. V.401. 113940 :1-11. DOI: 10.1016/j.micromeso.2025.113940 OpenAlex

Submitted:	Jul 28, 2025
Accepted:	Nov 9, 2025
Published online:	Nov 11, 2025

OpenAlex:

W7105596842

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