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Magnetic coupling between nuclear motion and nuclear spins in molecules.

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Title: Magnetic coupling between nuclear motion and nuclear spins in molecules.
Authors: Diez, Matthias1,2 (AUTHOR), Krondorfer, Johannes K.1 (AUTHOR), Hirtenfelder, Albert1 (AUTHOR), Hauser, Andreas W.1 (AUTHOR) andreas.w.hauser@gmail.com
Source: Molecular Physics. Apr2026, Vol. 124 Issue 7/8, p1-18. 18p.
Subjects: Nuclear spin, Hyperfine interactions, Magnetic coupling, Nuclear vibrational states, Nuclear magnetic resonance spectroscopy, Molecules
Abstract: Among the possible types of magnetic dipole interactions in molecular systems, couplings between nuclear motion and the nuclear spin have probably received the least attention in molecular spectroscopy. Although very small in comparison to effects related to electron spin, this type of hyperfine interaction plays an important role in the NMR spectroscopy of molecular systems. While measurement and prediction of spin-rotation tensors are a common place, vibrationally induced effects still lack a comprehensive description. In this article we develop a generic, theoretical framework that is well embedded in modern electronic structure theory and inspired by the Breit-Pauli Hamiltonian for electronic interactions, distinguishing between nuclear spin-orbit and spin-other-orbit contributions. We show that the interaction of nuclear spins with pseudorotational excitations of highly symmetric molecules may lead to experimentally accessible hyperfine splittings in NMR spectra, triggered by infrared light. [ABSTRACT FROM AUTHOR]
Copyright of Molecular Physics is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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DbLabel: Engineering Source
An: 195472195
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PubTypeId: academicJournal
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  Data: Magnetic coupling between nuclear motion and nuclear spins in molecules.
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  Data: <searchLink fieldCode="JN" term="%22Molecular+Physics%22">Molecular Physics</searchLink>. Apr2026, Vol. 124 Issue 7/8, p1-18. 18p.
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  Data: <searchLink fieldCode="DE" term="%22Nuclear+spin%22">Nuclear spin</searchLink><br /><searchLink fieldCode="DE" term="%22Hyperfine+interactions%22">Hyperfine interactions</searchLink><br /><searchLink fieldCode="DE" term="%22Magnetic+coupling%22">Magnetic coupling</searchLink><br /><searchLink fieldCode="DE" term="%22Nuclear+vibrational+states%22">Nuclear vibrational states</searchLink><br /><searchLink fieldCode="DE" term="%22Nuclear+magnetic+resonance+spectroscopy%22">Nuclear magnetic resonance spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Molecules%22">Molecules</searchLink>
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  Label: Abstract
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  Data: Among the possible types of magnetic dipole interactions in molecular systems, couplings between nuclear motion and the nuclear spin have probably received the least attention in molecular spectroscopy. Although very small in comparison to effects related to electron spin, this type of hyperfine interaction plays an important role in the NMR spectroscopy of molecular systems. While measurement and prediction of spin-rotation tensors are a common place, vibrationally induced effects still lack a comprehensive description. In this article we develop a generic, theoretical framework that is well embedded in modern electronic structure theory and inspired by the Breit-Pauli Hamiltonian for electronic interactions, distinguishing between nuclear spin-orbit and spin-other-orbit contributions. We show that the interaction of nuclear spins with pseudorotational excitations of highly symmetric molecules may lead to experimentally accessible hyperfine splittings in NMR spectra, triggered by infrared light. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
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  Data: <i>Copyright of Molecular Physics is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1080/00268976.2025.2600464
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      – Code: eng
        Text: English
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        PageCount: 18
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    Subjects:
      – SubjectFull: Nuclear spin
        Type: general
      – SubjectFull: Hyperfine interactions
        Type: general
      – SubjectFull: Magnetic coupling
        Type: general
      – SubjectFull: Nuclear vibrational states
        Type: general
      – SubjectFull: Nuclear magnetic resonance spectroscopy
        Type: general
      – SubjectFull: Molecules
        Type: general
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      – TitleFull: Magnetic coupling between nuclear motion and nuclear spins in molecules.
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            NameFull: Diez, Matthias
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            NameFull: Krondorfer, Johannes K.
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            NameFull: Hirtenfelder, Albert
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            NameFull: Hauser, Andreas W.
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            – D: 01
              M: 04
              Text: Apr2026
              Type: published
              Y: 2026
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              Value: 124
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              Value: 7/8
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            – TitleFull: Molecular Physics
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