In-situ High Pressure Nuclear Magnetic Resonance Crystallography

TL;DR

This paper introduces high-resolution in-situ NMR spectroscopy under extreme high-pressure conditions using advanced decoupling techniques, enabling detailed atomic structure analysis in diamond anvil cells at Mbar pressures.

Contribution

Development of high-resolution NMR methods in diamond anvil cells with decoupling techniques for structural analysis at ultra-high pressures.

Findings

Achieved spectral resolution of 1 ppm or better at Mbar pressures.

Demonstrated applicability across various extreme conditions experiments.

Enabled detailed local atomic structure investigations under high pressure.

Abstract

Our recent developments in in-situ nuclear magnetic resonance (NMR) spectroscopy under extreme conditions led to the observation of a wide variety of physical phenomena not accessible with standard high pressure experimental probes. However, inherent di- or quadrupolar line broadening in diamond anvil cell (DAC) based NMR experiments often limit detailed investigations of local atomic structures, especially if different phases or local environments are coexisting. Here, we present 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 Mbar regime. Using this technique, spectral resolutions in the order of 1 ppm and below have been achieved, enabling high pressure structural analysis. Several examples will demonstrate the wide applicability of this method for extreme conditions research.