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Singlet spin order in spin pairs coupled via non-bonded interactions

Singlet spin order in spin pairs coupled via non-bonded interactions
Singlet spin order in spin pairs coupled via non-bonded interactions
Fluorine spin pairs that are constrained in spatial proximity show large scalar spin-spin couplings, despite the atoms being separated by several bonds. This is due to a non-bonded atomic interaction related to partial overlapping of fluorine p-orbitals. In this paper we exploit this phenomenon to create long-lived singlet spin order on the fluorine spin pair. This form of order, which, in this example molecule, is more than an order of magnitude longer than longitudinal order, has the potential to be useful in magnetic resonance imaging and molecular tracing experiments, because of the lack of endogenous fluorine in the human body and the high sensitivity achievable in 19 F NMR.
2296-2646
Pileio, Giuseppe
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
Yamano, Dolnapa
42f2639c-f9fe-4492-9704-8fe444df39de
Eccles, Craig
5b82231b-df69-4907-88ae-94fdaefad99b
Tizzard, Graham J.
8474c0fa-40df-43a6-a662-7f3c4722dbf2
Thompson, Sam
99b7e34e-fe24-401c-b7b0-64e56cbbbcb1
Pileio, Giuseppe
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
Yamano, Dolnapa
42f2639c-f9fe-4492-9704-8fe444df39de
Eccles, Craig
5b82231b-df69-4907-88ae-94fdaefad99b
Tizzard, Graham J.
8474c0fa-40df-43a6-a662-7f3c4722dbf2
Thompson, Sam
99b7e34e-fe24-401c-b7b0-64e56cbbbcb1

Pileio, Giuseppe, Yamano, Dolnapa, Eccles, Craig, Tizzard, Graham J. and Thompson, Sam (2024) Singlet spin order in spin pairs coupled via non-bonded interactions. Frontiers in Chemistry. (In Press)

Record type: Article

Abstract

Fluorine spin pairs that are constrained in spatial proximity show large scalar spin-spin couplings, despite the atoms being separated by several bonds. This is due to a non-bonded atomic interaction related to partial overlapping of fluorine p-orbitals. In this paper we exploit this phenomenon to create long-lived singlet spin order on the fluorine spin pair. This form of order, which, in this example molecule, is more than an order of magnitude longer than longitudinal order, has the potential to be useful in magnetic resonance imaging and molecular tracing experiments, because of the lack of endogenous fluorine in the human body and the high sensitivity achievable in 19 F NMR.

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Accepted/In Press date: 16 December 2024

Identifiers

Local EPrints ID: 497329
URI: http://eprints.soton.ac.uk/id/eprint/497329
ISSN: 2296-2646
PURE UUID: 67300476-82c4-4bc7-8584-c061d1c006ba
ORCID for Giuseppe Pileio: ORCID iD orcid.org/0000-0001-9223-3896
ORCID for Dolnapa Yamano: ORCID iD orcid.org/0000-0003-4848-510X
ORCID for Graham J. Tizzard: ORCID iD orcid.org/0000-0002-1577-5779
ORCID for Sam Thompson: ORCID iD orcid.org/0000-0001-6267-5693

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Date deposited: 20 Jan 2025 17:36
Last modified: 01 Feb 2025 03:16

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Contributors

Author: Giuseppe Pileio ORCID iD
Author: Dolnapa Yamano ORCID iD
Author: Craig Eccles
Author: Sam Thompson ORCID iD

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