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

摘要

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 Si-29 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 Si-29 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 Si-29 solid-state NMR spectra, various correlations between Si-29 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.