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High-resolution NMR correlation spectra of disordered solids

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NMR Crystallography in the Big Data Era: New Methods and Applications Powered by Machine Learning

Manuel Cordova

Structure determination of materials is key to understanding their physical properties. While single-crystal X-ray diffraction is the gold standard for structures displaying long-range order, many materials of interest are polycrystalline and/or disordered ...

EPFL2023

Solid-state NMR spectroscopy

David Lyndon Emsley

Solid-state nuclear magnetic resonance (NMR) spectroscopy is an atomic-level method to determine the chemical structure, 3D structure and dynamics of solids and semi-solids. This Primer summarizes the basic principles of NMR spectroscopy as applied to the ...

SPRINGERNATURE2021

Hyperpolarization of inorganic solids

Snaedis Björgvinsdóttir

Solid-state NMR can provide information about the atomic level structure and dynamics of materials. It directly probes symmetry and structure at nuclear sites, and is especially useful for investigation of disordered or amorphous solids that lack long rang ...

EPFL2021

Three-membered cyclic digermylenes stabilised by an N-heterocyclic carbene dagger

Zhaowen Dong

Treatment of potassium salts of silole dianions with donor stabilised germanium dichlorides gave the anticipated silagermafulvenylidenes R2Si = Ge(Do) (R2Si = 1-silacyclopentadiendiyl, Do = N-heterocyclic carbene (NHC)) only as transient intermediates in a ...

ROYAL SOC CHEMISTRY2021

Advanced Computational Methods for NMR Crystallography

Albert Hofstetter

Knowledge of the atomic-level structure is key to understanding and predicting properties of materials. X-ray diffraction (XRD) is the methods of choice for structures containing well-defined long-range order. However, many materials contain various degree ...

EPFL2019

Measurement of Proton Spin Diffusivity in Hydrated Cementitious Solids

David Lyndon Emsley, Brennan James Walder, Federico Maria Paruzzo, Jayasubba Reddy Yarava, Bradley Floyd Chmelka

The study of hydration and crystallization processes involving inorganic oxides is often complicated by poor long-range order and the formation of heterogeneous domains or surface layers. In solid-state NMR, H-1-H-1 spin diffusion analyses can provide info ...

2019

DNP in Materials Science: Touching the Surface

David Lyndon Emsley, Pierrick Berruyer

Dynamic nuclear polarization (DNP)-enhanced solid-state NMR spectroscopy under magic-angle spinning has recently emerged as a unique analytical method to probe surfaces at atomic resolution. In this article, we first describe the basic principles of dynami ...

WILEY2018

Nuclear overhauser spectroscopy of chiral CHD methylene groups

Geoffrey Bodenhausen, Fabien Ferrage

Nuclear magnetic resonance spectroscopy (NMR) can provide a great deal of information about structure and dynamics of biomolecules. The quality of an NMR structure strongly depends on the number of experimental observables and on their accurate conversion ...

Springer Verlag2016

Dynamic nuclear polarisation enhanced N-14 overtone MAS NMR spectroscopy

David Lyndon Emsley, Aaron James Rossini

Dynamic nuclear polarisation (DNP) has been used to obtain magic angle spinning (NOT)-N-14 (nitrogen-14 overtone) solid-state NMR spectra from several model amino acids, with both direct and indirect observation of the (NOT)-N-14 signal. The crystalline so ...

2014

Decoupling of Magnetic Resonance Signals in Time and Frequency Domain

Nuclear magnetic resonance (NMR) was discovered in the first half of the 20th century. Today, neither analytical chemistry without NMR spectroscopy nor medical diagnostics without magnetic resonance imaging (MRI) could be imagined. A magnetic resonance sig ...

EPFL2013