Distribution of Si Sites in Silicoaluminophosphates SAPO-5 and SAPO-11 According to Solid-State NMR Spectroscopy and DFT Calculations | Sciact - CRIS-система Института катализа

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

Журнал

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

Вых. Данные

Год: 2026, Том: 401, Номер статьи : 113940, Страниц : 11 DOI: 10.1016/j.micromeso.2025.113940

Ключевые слова

Silicoaluminophosphates, SAPO-5, SAPO-11, Solid-state NMR, DFT

Авторы

Yakovlev Ilya V. ¹ , Toktarev Aleksandr V. ¹ , Papulovskiy Evgeniy S. ¹ , Cherepanova Natalia E. ¹ , Shubin Aleksandr A. ² , Lapina Olga B. ¹

Организации

1	Boreskov Institute of Catalysis SB RAS, Lavrentiev Ave. 5, Novosibirsk, 630090, Russia
2	Institute of Solid State Chemistry and Mechanochemistry SB RAS, Kutateladze St. 18, 630090, Novosibirsk, Russia

Информация о финансировании (1)

Российский научный фонд

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

Поступила в редакцию:	28 июл. 2025 г.
Принята к публикации:	9 нояб. 2025 г.
Опубликована online:	11 нояб. 2025 г.

OpenAlex:

W7105596842

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