NMR Spectroscopic and Theoretical Analysis of Boron Incorporation into the AlPO-41 Framework Facilitated by Silicon | Sciact - CRIS-система Института катализа

NMR Spectroscopic and Theoretical Analysis of Boron Incorporation into the AlPO-41 Framework Facilitated by Silicon Научная публикация

Журнал

Applied Magnetic Resonance
ISSN: 0937-9347 , E-ISSN: 1613-7507

Вых. Данные

Год: 2025, DOI: 10.1007/s00723-025-01770-3

Ключевые слова

ZEOLITE; Al-27

Авторы

Yakovlev Ilya V. ¹ , Toktarev Aleksandr V. ¹ , Shubin Aleksandr A. ² , Papulovskiy Evgeniy S. ¹ , 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, Novosibirsk 630090, Russia

Информация о финансировании (1)

Российский научный фонд

23-13-00151

The introduction of boron into the aluminophosphate AlPO-41 framework (AFO structure), enhanced by the presence of silicon, was investigated using solid-state NMR spectroscopy and DFT calculations. While boron incorporation into the pure AlPO-41 was negligible, simultaneous co-substitution with silicon facilitated the stabilization of tetrahedral boron within the framework, as evidenced by 11B solid-state NMR. 29Si NMR revealed a more uniform silicon distribution in BSAPO-41 compared to SAPO-41, with isolated Si(4Al) sites and silicon patches identified. The theoretical modeling suggested preferential substitution sites for Si and B. These findings highlight the synergistic role of silicon in enabling boron incorporation, offering a pathway to fine-tune the acidity and catalytic properties of aluminophosphate molecular sieves. Additionally, the theoretical modeling allowed to establish the mechanism of hydration of AlPO-41.

Yakovlev I.V. , Toktarev A.V. , Shubin A.A. , Papulovskiy E.S. , Lapina O.B.
NMR Spectroscopic and Theoretical Analysis of Boron Incorporation into the AlPO-41 Framework Facilitated by Silicon
Applied Magnetic Resonance. 2025. DOI: 10.1007/s00723-025-01770-3 WOS

Поступила в редакцию:	2 июн. 2025 г.
Принята к публикации:	4 июл. 2025 г.
Опубликована online:	12 июл. 2025 г.

Web of science:

WOS:001527708800001

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