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 c...
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2025-01-01
|
| Series: | Frontiers in Chemistry |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/articles/10.3389/fchem.2024.1511720/full |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1832582041092227072 |
|---|---|
| author | Giuseppe Pileio Dolnapa Yamano Craig D. Eccles Graham J. Tizzard Sam Thompson |
| author_facet | Giuseppe Pileio Dolnapa Yamano Craig D. Eccles Graham J. Tizzard Sam Thompson |
| author_sort | Giuseppe Pileio |
| collection | DOAJ |
| description | 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 19F NMR. |
| format | Article |
| id | doaj-art-9e34f87ba76b41f597e314097a272f52 |
| institution | Kabale University |
| issn | 2296-2646 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Chemistry |
| spelling | doaj-art-9e34f87ba76b41f597e314097a272f522025-01-30T06:22:49ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462025-01-011210.3389/fchem.2024.15117201511720Singlet spin order in spin pairs coupled via non-bonded interactionsGiuseppe Pileio0Dolnapa Yamano1Craig D. Eccles2Graham J. Tizzard3Sam Thompson4School of Chemistry, University of Southampton, Southampton, United KingdomSchool of Chemistry, University of Southampton, Southampton, United KingdomMagritek GmbH, Aachen, GermanyUK National Crystallography Service, School of Chemistry, University of Southampton, Southampton, United KingdomSchool of Chemistry, University of Southampton, Southampton, United KingdomFluorine 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 19F NMR.https://www.frontiersin.org/articles/10.3389/fchem.2024.1511720/fulllong-lived spin statesnuclear singlet spin orderthrough-space scalar couplingNMRfluorine NMR |
| spellingShingle | Giuseppe Pileio Dolnapa Yamano Craig D. Eccles Graham J. Tizzard Sam Thompson Singlet spin order in spin pairs coupled via non-bonded interactions Frontiers in Chemistry long-lived spin states nuclear singlet spin order through-space scalar coupling NMR fluorine NMR |
| title | Singlet spin order in spin pairs coupled via non-bonded interactions |
| title_full | Singlet spin order in spin pairs coupled via non-bonded interactions |
| title_fullStr | Singlet spin order in spin pairs coupled via non-bonded interactions |
| title_full_unstemmed | Singlet spin order in spin pairs coupled via non-bonded interactions |
| title_short | Singlet spin order in spin pairs coupled via non-bonded interactions |
| title_sort | singlet spin order in spin pairs coupled via non bonded interactions |
| topic | long-lived spin states nuclear singlet spin order through-space scalar coupling NMR fluorine NMR |
| url | https://www.frontiersin.org/articles/10.3389/fchem.2024.1511720/full |
| work_keys_str_mv | AT giuseppepileio singletspinorderinspinpairscoupledvianonbondedinteractions AT dolnapayamano singletspinorderinspinpairscoupledvianonbondedinteractions AT craigdeccles singletspinorderinspinpairscoupledvianonbondedinteractions AT grahamjtizzard singletspinorderinspinpairscoupledvianonbondedinteractions AT samthompson singletspinorderinspinpairscoupledvianonbondedinteractions |