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<p>The design of molecular rare earth complexes to achieve unique magnetic and bonding properties is a growing area of research with possible applications in advanced materials and molecular magnetics. Recent efforts focus on developing ligand frameworks that can enhance magnetic characteristics. Here we show the synthesis and characterization of a class of rare earth complexes, [(η<sup>5</sup>-C<sub>4</sub>R<sub>4</sub>Sb)Ln(η<sup>8</sup>-C<sub>8</sub>H<sub>8</sub>)] and [(η<sup>5</sup>-C<sub>4</sub>R<sub>4</sub>Bi)Ln(η<sup>8</sup>-C<sub>8</sub>H<sub>8</sub>)], featuring η<sup>5</sup>-coordinated stibolyl and bismolyl ligands. The ligand aromaticity and bonding situation within these complexes are investigated by quantum chemical calculations. Magnetic studies of the Er<sup>III</sup> analogues reveal large barriers and intriguing properties, including waist-restricted hysteresis and slow relaxation of the magnetization, making them single-molecule magnets. Comparison between the experimental barrier and CASSCF-SO calculations indicates that relaxation in all systems occurs through high-energy excited states. These findings suggest that stibolyl and bismolyl ligands can be promising candidates for achieving high-energy barriers in Er-based SMMs, offering a pathway to molecular designs with enhanced magnetic properties.</p>

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Rare earth stibolyl and bismolyl sandwich complexes

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年2月10日

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  • Noah Schwarz,
  • Florian Bruder,
  • Valentin Bayer,
  • Eufemio Moreno-Pineda,
  • Sebastian Gillhuber,
  • Xiaofei Sun,
  • Joris van Slageren,
  • Florian Weigend,
  • Peter W. Roesky

摘要

The design of molecular rare earth complexes to achieve unique magnetic and bonding properties is a growing area of research with possible applications in advanced materials and molecular magnetics. Recent efforts focus on developing ligand frameworks that can enhance magnetic characteristics. Here we show the synthesis and characterization of a class of rare earth complexes, [(η5-C4R4Sb)Ln(η8-C8H8)] and [(η5-C4R4Bi)Ln(η8-C8H8)], featuring η5-coordinated stibolyl and bismolyl ligands. The ligand aromaticity and bonding situation within these complexes are investigated by quantum chemical calculations. Magnetic studies of the ErIII analogues reveal large barriers and intriguing properties, including waist-restricted hysteresis and slow relaxation of the magnetization, making them single-molecule magnets. Comparison between the experimental barrier and CASSCF-SO calculations indicates that relaxation in all systems occurs through high-energy excited states. These findings suggest that stibolyl and bismolyl ligands can be promising candidates for achieving high-energy barriers in Er-based SMMs, offering a pathway to molecular designs with enhanced magnetic properties.