Hydration and Hydrolysis of Boron-Substituted Aluminophosphate BAPO-5 According to Solid-State NMR and DFT Calculations | Sciact - CRIS-система Института катализа

Hydration and Hydrolysis of Boron-Substituted Aluminophosphate BAPO-5 According to Solid-State NMR and DFT Calculations Научная публикация

Журнал

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

Вых. Данные

Год: 2024, Том: 55, Страницы: 1245–1261 Страниц : 17 DOI: 10.1007/s00723-024-01673-9

Ключевые слова

Catalysts; Density functional theory; Microporosity; Microporous materials; Molecular sieves; Molecules; Nuclear magnetic resonance; Nuclear magnetic resonance spectroscopy

Авторы

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

Организации

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

Информация о финансировании (1)

Российский научный фонд

23-13-00151

Microporous aluminophosphates (AlPOs) are prospective materials that can be used as molecular sieves and adsorbents in their pure form or catalysts and catalyst supports when some of the sites are substituted with heteroatoms. One of the approaches to create and finely tune Brønsted acid sites in AlPO is simultaneous introduction of Si and B into the framework. However, boron substitution of AlPOs is briefly studied and proceeds with difficulties. Here, we apply multinuclear solid-state nuclear magnetic resonance together with DFT calculations to investigate the behavior of aluminophosphate AlPO-5 and its boron-substituted analogue BAPO-5 upon interaction with water. We demonstrate that the structure of AlPO-5 facilitates a homogeneous distribution of water molecules and makes BAPO-5 less susceptible to hydrolysis compared to microporous AlPO-11 and BAPO-11.

Yakovlev I.V. , Papulovskiy E.S. , Shubin A.A. , Toktarev A.V. , Lapina O.B.
Hydration and Hydrolysis of Boron-Substituted Aluminophosphate BAPO-5 According to Solid-State NMR and DFT Calculations
Applied Magnetic Resonance. 2024. V.55. P.1245–1261. DOI: 10.1007/s00723-024-01673-9 WOS Scopus РИНЦ CAPlus OpenAlex

Поступила в редакцию:	29 апр. 2024 г.
Принята к публикации:	21 июн. 2024 г.
Опубликована online:	27 июн. 2024 г.
Опубликована в печати:	1 окт. 2024 г.

Web of science:	WOS:001258044300002
Scopus:	2-s2.0-85197882666
РИНЦ:	68352860
Chemical Abstracts:	2024:1474049
OpenAlex:	W4400085913

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