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2020-11-25

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Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/184531

Intermolecular Resonance Correlates Electron Pairs Down a Supermolecular Chain:Antiferromagnetism in K‐Doped p‐Terphenyl

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https://doi.org/10.1021/jacs.0c05606

Resum

Recent interest in potassium-doped p-terphenyl has been fueled by reports of superconductivity at Tc values surprisingly high for organic compounds. Despite these interesting properties, studies of the structure−function relationships within these materials have been scarce. Here, we isolate a phase-pure crystal of potassium-doped p-terphenyl: [K(222)]2[p-terphenyl3]. Emerging antiferromagnetism in the anisotropic structure is studied in depth by magnetometry and electron spin resonance. Combining these experimental results with density functional theory calculations, we describe the antiferromagnetic coupling in this system that occurs in all 3 crystallographic directions. The strongest coupling was found along the ends of the terphenyls, where the additional electron on neighboring p-terphenyls antiferromagnetically couple. This delocalized bonding interaction is reminiscent of the doubly degenerate resonance structure depiction of polyacetylene. These findings hint toward magnetic fluctuation-induced super- conductivity in potassium-doped p-terphenyl, which has a close analogy with high Tc cuprate superconductors. The new approach described here is very versatile as shown by the preparation of two additional salts through systematic changing of the building blocks.

Matèries

Potassi, Espectroscòpia de ressonància paramagnètica electrònica, Propietats magnètiques

Matèries (anglès)

Potassium, Electron paramagnetic resonance spectroscopy, Magnetic properties

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Articles publicats en revistes (Ciència dels Materials i Química Física)
Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB))

Citació

GADJIEVA, Natalia a., SZIRMAI, Péter, SÁGI, Olivér, ALEMANY I CAHNER, Pere, BARTHOLOMEW, Amymarie k., CONEJEROS ESPÍNDOLA, Sergio, PALEY, Daniel w., HERNÁNDEZ SÁNCHEZ, Raúl, FOWLER, Brandon, PEURIFOY, Samuel r., NÁFRÁDI, Bálint, FORRÓ, Lázsló, ROY, Xavier s., BATAIL, Patrick, CANADELL, Enric, STEIGERWALD, Michael l., NUCKOLLS, Colin. Intermolecular Resonance Correlates Electron Pairs Down a Supermolecular Chain:Antiferromagnetism in K‐Doped p‐Terphenyl. _Journal of the American Chemical Society_. 2020. Vol. 142, núm. 49, pàgs. 20624-20630. [consulta: 26 de febrer de 2026]. ISSN: 0002-7863. [Disponible a: https://hdl.handle.net/2445/184531]

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