Lecture

Solid-state NMR and Quadrupoles

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In course

CH-401: Advanced nuclear magnetic resonance

Principles of Magnetic Resonance Imaging (MRI) and applications to medical imaging. Principles of modern multi-dimensional NMR in liquids and solids. Structure determination of proteins & materials. Measurement of molecular dynamics. Principles of Hyperpol ...

Description

This lecture covers the principles of solid-state NMR, focusing on the unique aspects of solid samples compared to liquids. It explains the anisotropic nature of chemical shifts in solids and how rapid molecular motion affects NMR spectra. The lecture delves into the quadrupolar interaction in nuclei with spins greater than 1/2, detailing the Hamiltonian and its impact on spectral features. It also explores techniques like magic angle spinning to regain high resolution in solid-state NMR. Applications in studying complex structures like cyclosporin A and silver acetate are discussed, highlighting the sensitivity of chemical shift anisotropy to electronic structure.

Instructor

David Lyndon Emsley

Current Work Our research centres on the development of new NMR spectroscopy experiments to determine the atomic-level structure and dynamics of complex materials and molecular systems, to solve a range of problems across disciplines. Teaching & PhD PhD Students Ray Cowen, Ümmügülsüm Günes, Máté Visegrádi, Ruben Rodriguez Madrid Past EPFL PhD Students Dominik Józef Kubicki, Arthur César Pinon, Albert Hofstetter, Federico Maria Paruzzo, Baptiste Busi, Snaedis Björgvinsdóttir, Martins Balodis, Aditya Mishra

Official source

Related concepts (30)

Solid-state nuclear magnetic resonance

Solid-state NMR (ssNMR) spectroscopy is a technique for characterizing atomic level structure in solid materials e.g. powders, single crystals and amorphous samples and tissues using nuclear magnetic resonance (NMR) spectroscopy. The anisotropic part of many spin interactions are present in solid-state NMR, unlike in solution-state NMR where rapid tumbling motion averages out many of the spin interactions.

Nuclear magnetic resonance spectroscopy

Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique to observe local magnetic fields around atomic nuclei. This spectroscopy is based on the measurement of absorption of electromagnetic radiations in the radio frequency region from roughly 4 to 900 MHz. Absorption of radio waves in the presence of magnetic field is accompanied by a special type of nuclear transition, and for this reason, such type of spectroscopy is known as Nuclear Magnetic Resonance Spectroscopy.

J-coupling

In nuclear chemistry and nuclear physics, J-couplings (also called spin-spin coupling or indirect dipole–dipole coupling) are mediated through chemical bonds connecting two spins. It is an indirect interaction between two nuclear spins that arises from hyperfine interactions between the nuclei and local electrons. In NMR spectroscopy, J-coupling contains information about relative bond distances and angles. Most importantly, J-coupling provides information on the connectivity of chemical bonds.

Chemical structure

A chemical structure of a molecule is a spatial arrangement of its atoms and their chemical bonds. Its determination includes a chemist's specifying the molecular geometry and, when feasible and necessary, the electronic structure of the target molecule or other solid. Molecular geometry refers to the spatial arrangement of atoms in a molecule and the chemical bonds that hold the atoms together and can be represented using structural formulae and by molecular models; complete electronic structure descriptions include specifying the occupation of a molecule's molecular orbitals.

Two-dimensional nuclear magnetic resonance spectroscopy

Two-dimensional nuclear magnetic resonance spectroscopy (2D NMR) is a set of nuclear magnetic resonance spectroscopy (NMR) methods which give data plotted in a space defined by two frequency axes rather than one. Types of 2D NMR include correlation spectroscopy (COSY), J-spectroscopy, exchange spectroscopy (EXSY), and nuclear Overhauser effect spectroscopy (NOESY). Two-dimensional NMR spectra provide more information about a molecule than one-dimensional NMR spectra and are especially useful in determining the structure of a molecule, particularly for molecules that are too complicated to work with using one-dimensional NMR.

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Spin Relaxation: Examples and Mechanisms

Explores spin relaxation mechanisms in magnetic resonance, with examples like protein structure determination and solid benzene.

Spin-Spin Couplings: Properties and Applications

Explores spin-spin couplings, dipolar couplings, and their impact on NMR spectra and molecular structures.

Spin-Spin Couplings: Basics