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Title: Intermolecular Resonance Correlates Electron Pairs Down a Supermolecular Chain:Antiferromagnetism in K‐Doped p‐Terphenyl
Author: 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, 1950-
Steigerwald, Michael L.
Nuckolls, Colin
Keywords: Potassi
Espectroscòpia de ressonància paramagnètica electrònica
Propietats magnètiques
Electron paramagnetic resonance spectroscopy
Magnetic properties
Issue Date: 25-Nov-2020
Publisher: American Chemical Society
Abstract: 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.
Note: Versió postprint del document publicat a:
It is part of: Journal of the American Chemical Society, 2020, vol. 142, num. 49, p. 20624-20630
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ISSN: 0002-7863
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)
Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB))

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