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Centralizer theory for long-lived spin states

Centralizer theory for long-lived spin states
Centralizer theory for long-lived spin states
Nuclear long-lived spin states represent spin density operator configurations that are exceptionally well protected against spin relaxation phenomena. Their long-lived character is exploited in a variety of Nuclear Magnetic Resonance (NMR) techniques. Despite growing importance of long-lived spin states in modern NMR strategies for their identification have changed little over the last decade. The standard approach heavily relies on a chain of group theoretical arguments. In this paper we present a more streamlined method for the calculation of such configurations. Instead of focusing on the symmetry properties of the relaxation superoperator, we focus on its corresponding relaxation algebra. This enables us to analyse long-lived spin states with Lie algebraic methods rather than group theoretical arguments. We show that the centralizer of the relaxation algebra forms a basis for the set of long-lived spin states. The characterisation of the centralizer on the other hand does not rely on any special symmetry arguments and its calculation is straightforward. We outline a basic algorithm and illustrate advantages by considering long-lived spin states for some spin-1/2 pairs and rapidly rotating methyl groups.
long-lived spin states, relaxation theory, Nuclear Magnetic Resonance
0021-9606
Bengs, Christian
cd3282d0-27ad-444f-bcb4-70eeab0029b9
Bengs, Christian
cd3282d0-27ad-444f-bcb4-70eeab0029b9

Bengs, Christian (2021) Centralizer theory for long-lived spin states. The Journal of Chemical Physics. (In Press)

Record type: Article

Abstract

Nuclear long-lived spin states represent spin density operator configurations that are exceptionally well protected against spin relaxation phenomena. Their long-lived character is exploited in a variety of Nuclear Magnetic Resonance (NMR) techniques. Despite growing importance of long-lived spin states in modern NMR strategies for their identification have changed little over the last decade. The standard approach heavily relies on a chain of group theoretical arguments. In this paper we present a more streamlined method for the calculation of such configurations. Instead of focusing on the symmetry properties of the relaxation superoperator, we focus on its corresponding relaxation algebra. This enables us to analyse long-lived spin states with Lie algebraic methods rather than group theoretical arguments. We show that the centralizer of the relaxation algebra forms a basis for the set of long-lived spin states. The characterisation of the centralizer on the other hand does not rely on any special symmetry arguments and its calculation is straightforward. We outline a basic algorithm and illustrate advantages by considering long-lived spin states for some spin-1/2 pairs and rapidly rotating methyl groups.

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Accepted/In Press date: 20 May 2021
Keywords: long-lived spin states, relaxation theory, Nuclear Magnetic Resonance

Identifiers

Local EPrints ID: 449657
URI: http://eprints.soton.ac.uk/id/eprint/449657
ISSN: 0021-9606
PURE UUID: c266874a-599a-4c78-8aff-f76bb5f48f92
ORCID for Christian Bengs: ORCID iD orcid.org/0000-0002-0196-7817

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Date deposited: 10 Jun 2021 16:31
Last modified: 16 Mar 2024 12:30

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Author: Christian Bengs ORCID iD

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