Hydration and Hydrolysis of Boron-Substituted Aluminophosphate BAPO-5 According to Solid-State NMR and DFT Calculations | Sciact - CRIS-system of Boreskov Institute of Catalysis

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

Journal

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

Output data

Year: 2024, Volume: 55, Pages: 1245–1261 Pages count : 17 DOI: 10.1007/s00723-024-01673-9

Tags

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

Authors

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

Affiliations

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

Funding (1)

Russian Science Foundation

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 AN OpenAlex

Submitted:	Apr 29, 2024
Accepted:	Jun 21, 2024
Published online:	Jun 27, 2024
Published print:	Oct 1, 2024

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

Пока нет цитирований