In situ high-pressure nuclear magnetic resonance crystallography in one and two dimensions

Recent developments in in situ nuclear magnetic resonance (NMR) spectroscopy under extreme conditions have led to the observation of a wide variety of physical phenomena that are not accessible with standard high-pressure experimental probes. However, inherent di- or quadrupolar line broadening in diamond anvil cell (DAC)-based NMR experiments often limits detailed investigation of local atomic structures, especially if different phases or local environments coexist. Here, we describe our progress in the development of high-resolution NMR experiments in DACs using one- and two-dimensional homonuclear decoupling experiments at pressures up to the megabar regime. Using this technique, spectral resolutions of the order of 1 ppm and below have been achieved, enabling high-pressure structural analysis. Several examples are presented that demonstrate the wide applicability of this method for extreme conditions research.& nbsp;(C) 2021 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

Automated summary

Recent advances in in situ nuclear magnetic resonance (NMR) spectroscopy under extreme conditions have allowed for observations of various physical phenomena previously inaccessible with standard high-pressure experimental probes. High-resolution NMR experiments in diamond anvil cells (DACs) have been developed, achieving spectral resolutions of 1 ppm and below, enabling detailed analysis of high-pressure structures. The method demonstrates wide applicability for research under extreme conditions.