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Singlet NMR methodology in two-spin-1/2 systems

Singlet NMR methodology in two-spin-1/2 systems
Singlet NMR methodology in two-spin-1/2 systems
This paper discusses methodology developed over the past 12 years in order to access and manipulate singlet order in systems comprising two coupled spin-1/2 nuclei in liquid-state nuclear magnetic resonance. Pulse sequences that are valid for different regimes are discussed, and fully analytical proofs are given using different spin dynamics techniques that include product operator methods, the single transition operator formalism, and average Hamiltonian theory. Methods used to filter singlet order from byproducts of pulse sequences are also listed and discussed analytically. The theoretical maximum amplitudes of the transformations achieved by these techniques are reported, together with the results of numerical simulations performed using custom-built simulation code.
1-19
Pileio, Giuseppe
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
Pileio, Giuseppe
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8

Pileio, Giuseppe (2017) Singlet NMR methodology in two-spin-1/2 systems. Progress in Nuclear Magnetic Resonance Spectroscopy, 98-99, 1-19. (doi:10.1016/j.pnmrs.2016.11.002).

Record type: Article

Abstract

This paper discusses methodology developed over the past 12 years in order to access and manipulate singlet order in systems comprising two coupled spin-1/2 nuclei in liquid-state nuclear magnetic resonance. Pulse sequences that are valid for different regimes are discussed, and fully analytical proofs are given using different spin dynamics techniques that include product operator methods, the single transition operator formalism, and average Hamiltonian theory. Methods used to filter singlet order from byproducts of pulse sequences are also listed and discussed analytically. The theoretical maximum amplitudes of the transformations achieved by these techniques are reported, together with the results of numerical simulations performed using custom-built simulation code.

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Pileio_PNMRS_2017.pdf - Accepted Manuscript
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More information

Accepted/In Press date: 23 November 2016
e-pub ahead of print date: 1 December 2016
Published date: February 2017
Organisations: Chemistry

Identifiers

Local EPrints ID: 404789
URI: http://eprints.soton.ac.uk/id/eprint/404789
PURE UUID: ee808ec5-759f-4500-8cc0-4e8575791f23
ORCID for Giuseppe Pileio: ORCID iD orcid.org/0000-0001-9223-3896

Catalogue record

Date deposited: 23 Jan 2017 14:38
Last modified: 15 Sep 2021 04:52

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Author: Giuseppe Pileio ORCID iD

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