Publication

Automated analysis of two-dimensional correlation spectra: assembly of fragments into networks of coupled spins

Geoffrey Bodenhausen
1990
Journal Articles

Abstract

The fine structures of multiplets in 2-dimensional correlation spectra arise from coherence transfer processes that can be rationalized in terms of connectivity diagrams. These can be derived from conventional energy-level diagrams, which in turn reflect the networks of coupled spins. Automated anal. of multiplets in 2-dimensional spectra does not yield the global coupling networks, but merely a set of hypothetical fragments of the networks. The relationship between the fragments and the parent coupling networks can be formulated in the terminol. of graph theory. An algorithm which allows one to assemble hypothetical fragments (which may be partly contradictory) in order to obtain proposals for the entire coupling networks is described. [on SciFinder (R)]

Official source

https://infoscience.epfl.ch/entities/publication/fc24d3bd-1080-434e-8c36-544212954a25

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Geoffrey Bodenhausen
1990
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/fc24d3bd-1080-434e-8c36-544212954a25

About this result

Related concepts (31)

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.

Nuclear magnetic resonance

Nuclear magnetic resonance (NMR) is a physical phenomenon in which nuclei in a strong constant magnetic field are perturbed by a weak oscillating magnetic field (in the near field) and respond by producing an electromagnetic signal with a frequency characteristic of the magnetic field at the nucleus. This process occurs near resonance, when the oscillation frequency matches the intrinsic frequency of the nuclei, which depends on the strength of the static magnetic field, the chemical environment, and the magnetic properties of the isotope involved; in practical applications with static magnetic fields up to ca.

Graph theory

In mathematics, graph theory is the study of graphs, which are mathematical structures used to model pairwise relations between objects. A graph in this context is made up of vertices (also called nodes or points) which are connected by edges (also called links or lines). A distinction is made between undirected graphs, where edges link two vertices symmetrically, and directed graphs, where edges link two vertices asymmetrically. Graphs are one of the principal objects of study in discrete mathematics.

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Automated analysis of two-dimensional correlation spectra: assembly of fragments into networks of coupled spins

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