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Peer-reviewedCC BYInorganic chemistry

Spin Coherence in a Phosphine Oxide-Based Mononuclear YbIII Complex.

  • Joan Torrent1
  • Oriol Balsells1
  • Radovan Herchel2
  • Cristina Puigjaner3
  • Valentin Novikov1,4
  • Albert Escuer1,4
  • Arnald Grabulosa1,4
  • Júlia Mayans1,4
4 affiliations
  1. 1Departament de Química Inorgànica i Orgànica, Secció de Química Inorgànica, Universitat de Barcelona, Marti i Franques 1-11, Barcelona08028, Spain.
  2. 2Department of Inorganic Chemistry, Faculty of Science, Palacký University, Olomouc77147, Czech Republic.
  3. 3Departament de Mineralogia, Cristal·lografia i Dipòsits Minerals and Unitat de Difracció de R-X. Centre Científic i Tecnològic de la Universitat de Barcelona (CCiTUB), Universitat de Barcelona, Solé i Sabarís 1-3, Barcelona08028, Spain.
  4. 4Institut de Nanociència i Nanotecnologia (IN2UB), Universitat de Barcelona, Barcelona08028, Spain.
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Abstract

The implementation of lanthanide-based molecular systems in quantum technologies (QTs) requires an accurate and well-designed environment of the spin-bearing lanthanide ion. Lanthanides have become appealing candidates for QTs given their ability to display both slow magnetic relaxation and quantum coherence, in tandem with other properties, which can be achieved through a rational design of the ligand field. This work covers the characterization of a YbIII compound based on phosphine oxide ligand bis(diphenylphosphino)methane oxide (dppmO2). The compound with a structural formula of [Yb(dppmO2)(NO3)3(H2O)]·CH2Cl2 (1) was structurally characterized through X-ray diffraction techniques. Field-induced slow magnetic relaxation was detected through AC SQUID magnetometry. The spin Hamiltonian parameters were evaluated through both continuous wave (CW) and echo-detected field swept (EDFS) electron paramagnetic resonance (EPR). The field and temperature dependence of the phase memory time (Tm) and spin-lattice relaxation (T1) were determined through Hahn echo decays and inversion recovery pulse sequences, respectively. Strong modulations in the Hahn echo decays were rationalized through coupling to 14N nuclei present in the nitrato donors, while Rabi oscillations show the ability of the system to behave as an effective qubit. Theoretical calculations employed at the DFT and CASSCF/NEVPT2 level were performed to elucidate the electronic structure and magnetic properties of 1.

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Cite

BibTeXRIS
BibTeX
@article{torrent2026spin,
  title = {{Spin Coherence in a Phosphine Oxide-Based Mononuclear YbIII Complex.}},
  author = {Joan Torrent and Oriol Balsells and Radovan Herchel and Cristina Puigjaner and Valentin Novikov and Albert Escuer and Arnald Grabulosa and Júlia Mayans},
  journal = {Inorganic chemistry},
  year = {2026},
  month = sep,
  doi = {10.1021/acs.inorgchem.6c02812},
  url = {https://europepmc.org/article/MED/42916183},
  note = {CC BY},
}
RIS
TY  - JOUR
TI  - Spin Coherence in a Phosphine Oxide-Based Mononuclear YbIII Complex.
AU  - Joan Torrent
AU  - Oriol Balsells
AU  - Radovan Herchel
AU  - Cristina Puigjaner
AU  - Valentin Novikov
AU  - Albert Escuer
AU  - Arnald Grabulosa
AU  - Júlia Mayans
PY  - 2026
DA  - 2026/09/01
JO  - Inorganic chemistry
DO  - 10.1021/acs.inorgchem.6c02812
UR  - https://europepmc.org/article/MED/42916183
AB  - The implementation of lanthanide-based molecular systems in quantum technologies (QTs) requires an accurate and well-designed environment of the spin-bearing lanthanide ion. Lanthanides have become appealing candidates for QTs given their ability to display both slow magnetic relaxation and quantum coherence, in tandem with other properties, which can be achieved through a rational design of the ligand field. This work covers the characterization of a YbIII compound based on phosphine oxide ligand bis(diphenylphosphino)methane oxide (dppmO2). The compound with a structural formula of [Yb(dppmO2)(NO3)3(H2O)]·CH2Cl2 (1) was structurally characterized through X-ray diffraction techniques. Field-induced slow magnetic relaxation was detected through AC SQUID magnetometry. The spin Hamiltonian parameters were evaluated through both continuous wave (CW) and echo-detected field swept (EDFS) electron paramagnetic resonance (EPR). The field and temperature dependence of the phase memory time (Tm) and spin-lattice relaxation (T1) were determined through Hahn echo decays and inversion recovery pulse sequences, respectively. Strong modulations in the Hahn echo decays were rationalized through coupling to 14N nuclei present in the nitrato donors, while Rabi oscillations show the ability of the system to behave as an effective qubit. Theoretical calculations employed at the DFT and CASSCF/NEVPT2 level were performed to elucidate the electronic structure and magnetic properties of 1.
SN  - 0020-1669
SN  - 1520-510X
ER  -