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.

为了扩展国际沸石协会沸石结构数据库的全面性，本文报道了将固态核磁共振（NMR）光谱纳入数据库的初步工作。本文介绍了过去40年中从公开发表的科学文献中收集的具有39种不同骨架类型的纯二氧化硅沸石的51 ²⁹ Si固态NMR光谱。高分辨率的²⁹ Si固态NMR光谱显示了Si站点的晶体学分辨率，已被收集，数字化，分析并整合到在线沸石结构数据库中，并且可以以交互方式免费在线查看。此外，拥有如此庞大的评估了²⁹ Si固态NMR光谱，²⁹ Si化学位移与描述Si部位周围局部结构的几何参数之间的各种相关性，表明当同时使用Si–O–Si键角和Si–O键长时，最佳相关结果被考虑。预计将这种固态NMR光谱添加到沸石结构数据库中将对国际沸石科学家界产生极大的兴趣和实用性。