NMR Spectroscopy

Information about nuclear magnetic resonance spectroscopy.

NMR spectroscopy (NMR = nuclear magnetic resonance) is a physical technique to study the structure of molecules and matter. NMR is a phenomenon exhibited when atomic nuclei in a static magnetic field absorb energy from a radio frequency field of certain characteristic frequencies.

NMR spectroscopy is associated with the physical chemistry and is a method of spectroscopy. The technique is based on the resonance magnetic nuclei having a magnetic field that is applied from the outside.

The NMR-compatible nuclides or isotopes must therefore have a nuclear spin in the ground state, which is unequal to zero.

The recorded spectra are mainly used to analyze and elucidate the structures of molecules. In medicine, a modified imaging method for diagnosis is in use.

Measuring the magnetic nuclear resonance takes place with a NMR spectrometer. Commercially available NMR spectrometers for chemical structure determination thereby generate magnetic flux densities between 7 and 21 Tesla.

Below you can find online available information and resources about NMR spectroscopy.


Current Articles
General Information
Lecture Notes, Tutorials
Special Information
Tools for the practical work in labs; application notes
Data and Databases
Data Analysis and Interpretation
Software and Programs
Online Calculation
Research facilities and departments

Current Articles

A Remarkable Advance in NMR Spectroscopy
Nuclear magnetic resonance with no magnets

High-pressure nmr
High Pressure-NMR

New Technology provides a deep view into protein structures.

New technique boosts protein NMR imaging speeds
A researcher believes he has found a quicker and more efficient approach to using SSNMR called paramagnetic relaxation-assisted condensed data collection, or PACC.

General Information

Application of Solid State NMR Spectroscopy on inorganic compounds
Local structure investigation as a supporting method for crystal structure determination

Nuclear magnetic resonance spectroscopy
Basics of NMR

Lecture Notes, Tutorials

Advanced NMR course
Structure determination using spectroscopic methods

NMR Lectures pages
Applied spectroscopy - Format: PDF

NMR specroscopy
Priciples and applications - Format: PDF

NMR specroscopy
Theory and applications - Format: PDF

NMR specroscopy
Principles - Format: PDF

NMR Spectroscopy
Theoretical principles

NMR Spectroscopy
Principles and Application; lecture notes

NMR Spectroscopy
Lecture notes

Nuclear Magnetic Resonance Spectroscopy
Lecture notes

Special Information

Interpretation of NMR spectra of steroids - Format: PDF

Tools for the practical work in labs; application notes

NMR Solvents
Usage, Purification and More. University of Erlangen

NMR Users Guide
Liquids NMR

NMR-Solvents - Online
Solvents used in NMR- spectroscopy are organic liquids of low viscosity and good solubilizing ability. University of Potsdam

Data and Databases

Atomic Spectra Database
The spectroscopic data may be selected and displayed according to wavelengths or energy levels by choosing lines or levels. NIST, USA

Atomic Spectral Line Broadening Bibliographic Database
... contains references to publications that include numerical data, general information, comments, and reviews on atomic line broadening and shifts. NIST

Atomic Spectroscopic Data
Spectroscopic database collection. NIST

Atomic Spectroscopic Databases
... provides access and search capability for critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. NIST

Atomic Transition Probability Bibliographic Database
... contains references to publications that include numerical data, comments, and reviews on atomic transition probabilities (oscillator strengths, line strengths, or radiative lifetimes). NIST

BMRB's mission is to collect, archive, and disseminate (worldwide in the public domain) the important quantitative data derived from NMR spectroscopic investigations of biological macromolecules

11B chemical shifts. University of Potsdam

11B NMR Chemical Shifts; relative to BF3.Et2O

13C Chemical Shift Calculation. University of Potsdam

Deuterated solvents
Chemical shifts for deuterated solvents

19F chemical shifts. University of Potsdam

1H chemical shifts. University of Potsdam

15N chemical shifts. University of Potsdam

nJH,H-Coupling Constants
Spectroscopic tools, data table. University of Potsdam

NMR Periodic Table
Enhanced NMR Periodic Table. TAMU, USA

17O chemical shifts. University of Potsdam

31P chemical shifts. University of Potsdam

31P Chemical Shifts

Re-referenced Protein Chemical Shift Database, RefDB

Characteristic Proton Chemical Shifts

Integrated Spectral Data Base System for Organic Compounds and Spectral Search. AIST, Japan

Si NMR Database

Data Analysis and Interpretation

Interpretation of NMR spectra
Summary of 1H-NMR Interpretation - Format: PDF

Interpretation of NMR spectra
Tutorial: 1H NMR Intrepretation

Problems in NMR and IR Spectroscopy
WebSpectra provides 1H NMR and 13C NMR, DEPT, COSY and IR spectra of various compounds for students to interpret

Software and Programs

Bruker NMR-Software
Updates and Patches

... is a general-purpose molecular dynamics computer simulation package for the study of biomolecular systems

NMR Software
List by NMR Information Server

Perch NMR-Software
... offers scientific software, research and consultation services. The main product PERCH NMR Software is a tool for analytical automation of NMR spectral data in chemical and pharmaceutical research & development

NMR Assignment and Integration Software is a graphical NMR assignment and integration program for proteins, nucleic acids, and other polymers

Virtual NMR Spectrometer
A computer program for efficient simulation of modern NMR experiments

Online Calculation

1H NMR Wizard
Spectroscopic tools; online calculation. University of Potsdam

13C-Chemical Shift Calculations. University of Potsdam

JCAMP-DX Generator
Online calculation. University of Potsdam

Lineform simulation
A simple dynamic NMR lineform simulation for two spins. University of Potsdam

NMR WebLab
Online calculations. MPI


Applied Magnetic Resonance
... provides an international forum for the application of magnetic resonance in physics, chemistry, biology, medicine, geochemistry, ecology, engineering, and related fields. Springer

Concepts in Magnetic Resonance Part A
... provides a forum for researchers to discuss fundamental aspects of magnetic resonance, both old and new, that relate to their research, but are difficult to include in a research paper. Wiley

Concepts in Magnetic Resonance Part B: Magnetic Resonance Engineering
... is an international journal devoted to the publication of original investigations concerned with the hardware and software of the engineering and physics aspects of magnetic resonance instrumentation. Articles concerned with both clinical and analytical systems are within the scope of the journal. Wiley

Journal of Biomolecular NMR
... presents research on technical developments and innovative applications of nuclear magnetic resonance spectroscopy in the study of structure and dynamic properties of biopolymers in solution, liquid crystals, solids and mixed environments such as membranes. Springer

Journal of Magnetic Resonance
JMR presents original papers in the fields of nuclear magnetic resonance, electron spin resonance, and nuclear quadrupole resonance spectroscopy, as well as in related experimental techniques. Elsevier

Journal of Molecular Spectroscopy
An international medium for the publication of some of the most significant research in the field, the Journal of Molecular Spectroscopy is an invaluable resource for astrophysicists, chemists, physicists, engineers, and others involved in molecular spectroscopy research and practice. Elsevier

Magnetic Resonance Imaging
MRI is dedicated to both basic research and medical applications, providing a single forum for communication among radiologists, physicists, chemists, biochemists, biologists, engineers, internists, pathologists, physiologists, computer scientists, and mathematicians. Elsevier

Magnetic Resonance in Chemistry
... is devoted to the rapid publication of papers dealing with the application of NMR, ESR and NQR spectrometry in all branches of chemistry. Wiley

Magnetic Resonance Materials in Physics, Biology and Medicine
MAGMA is a multidisciplinary international journal that publishes articles on all aspects of magnetic resonance techniques and their applications in medicine and biology. Springer

NMR in Biomedicine
... is a journal devoted to the publication of original full-length papers, rapid communications and review articles in which magnetic resonance spectroscopy or imaging methods are used to investigate physiological, biochemical, biophysical or medical problems. Wiley

Progress in Nuclear Magnetic Resonance Spectroscopy
... publishes review papers describing research related to theory and application of NMR spectroscopy. Elsevier

Solid State Nuclear Magnetic Resonance
... publishes original manuscripts of high scientific quality dealing with all experimental and theoretical aspects of solid state NMR. Elsevier

Research facilities and departments

Carlomagno Group Mechanisms of intermolecular recognition studied by NMR. Heidelberg


Association of Managers in Magnetic Resonance Laboratories

Experimental Nuclear Magnetic Resonance Conference
50th ENC: March 29 - April 3, 2009

National Magnetic Resonance Society, NMRS

International Society of Magnetic Resonance
ISMRM is a society devoted to the advancement of magnetic resonance and its applications

Grupo Especializado de Resonancia Magnética Nuclear, GERMN - [es]

Related Books and Scientific Literature: NMR Spectroscopy

Book recommendation

James Keeler

Understanding NMR Spectroscopy

This text is aimed at people who have some familiarity with high-resolution NMR and who wish to deepen their understanding of how NMR experiments actually ‘work’. This revised and updated edition takes the same approach as the highly-acclaimed first edition.

The text concentrates on the description of commonly-used experiments and explains in detail the theory behind how such experiments work. The quantum mechanical tools needed to analyse pulse sequences are introduced set by step, but the approach is relatively informal with the emphasis on obtaining a good understanding of how the experiments actually work. The use of two-colour printing and a new larger format improves the readability of the text.

Wiley; 2011

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Entries: 72

Last update 16.11.2016

Keywords: NMR, spectroscopy, spectrometry, basics, information, applications, theory, research

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