NMR Crystallography as a Vital Tool in Assisting Crystal Structure Determination from Powder XRD Data
NMR Crystallography as a Vital Tool in Assisting Crystal Structure Determination from Powder XRD Data
复制标题
DOI：
10.3390/cryst12091277
复制
发表时间：
2022-09
期刊：
影响因子：
2.7
通讯作者：
K. Harris
中科院分区：
文献类型：
--
作者：
K. Harris
粉末X射线衍射（XRD）和固态NMR光谱是研究固体结构性质的互补技术，并且在确定结晶固体的结构性质时协同地应用这些技术具有相当大的机会和优势。本文概述了利用固态NMR数据获得的结构信息来辅助和增强粉末XRD数据晶体结构测定过程的潜力，特别关注有机分子材料的结构测定。
Powder X-ray diffraction (XRD) and solid-state NMR spectroscopy are complementary techniques for investigating the structural properties of solids, and there are considerable opportunities and advantages to applying these techniques synergistically together in determining the structural properties of crystalline solids. This article provides an overview of the potential to exploit structural information derived from solid-state NMR data to assist and enhance the process of crystal structure determination from powder XRD data, focusing in particular on the structure determination of organic molecular materials.