Details

Autor(en) / Beteiligte

• Brouwer, Darren H.
• Brouwer, Carraugh C.
• Mesa, Sofia
• Semelhago, Claire A.
• Steckley, Erin E.
• Sun, Megan P.Y.
• Mikolajewski, Janelle G.
• Baerlocher, Christian

Titel

Solid-state 29Si NMR spectra of pure silica zeolites for the International Zeolite Association Database of Zeolite Structures

Ist Teil von

• Microporous and mesoporous materials, 2020-05, Vol.297, p.110000, Article 110000

Ort / Verlag

Elsevier Inc

Erscheinungsjahr

2020

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• With a view to extending the comprehensiveness of the International Zeolite Association Database of Zeolite Structures, this paper reports initial efforts to incorporate solid-state nuclear magnetic resonance (NMR) spectra in the database. A collection of 51 29Si solid-state NMR spectra of pure silica zeolites with 39 different framework types, gleaned from the published scientific literature over the past four decades, is presented here. High resolution 29Si solid-state NMR spectra showing crystallographic resolution of the Si sites were collected, digitized, analyzed, and incorporated into the online Database of Zeolite Structures and can be freely viewed online in an interactive fashion. In addition, with such a large dataset of 29Si solid-state NMR spectra, various correlations between 29Si chemical shifts and geometric parameters describing the local structure around the Si sites were evaluated, showing that the best correlation results when both Si–O–Si bond angles and Si–O bond lengths are considered. It is anticipated that this addition of solid-state NMR spectra to the Database of Zeolite Structures will be of great interest and usefulness to the international community of zeolite scientists. [Display omitted] •Solid-state NMR spectra incorporated into the online Database of Zeolite Structures.•Collection of 29Si solid state NMR spectra of pure silica zeolites from over 4 decades.•All spectra show crystallographic resolution of Si sites in zeolite frameworks.•29Si chemical shifts from this collection were correlated to structural parameters.