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Crystal Structure and Magnetic Modulation of Rubidium-Intercalated 2-Phenylnaphthalene

Year: 2026
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide Intercalation of alkali metals into aromatic hydrocarbons offers significant potential for achieving organic magnetism. In this study, rubidium-intercalated 2-phenylnaphthalene molecular crystals were synthesized successfully by ultrasonic treatment and low-temperature annealing. Magnetic measurements demonstrate that the rubidium-intercalated samples exhibit typical Curie paramagnetism with a molar magnetic moment of approximately 0.44 μ B . XRD and Raman spectroscopy measurements confirm that the structure and vibration information on the prepared samples differ from those of pristine 2-phenylnaphthalene, indicating that a new structure is formed by intercalating preparation. First-principles calculations yield optimized theoretical structures and magnetic moments that align with experimental observations, suggesting that Rb-5 s electrons from intercalated rubidium are transferred to the C-2 p orbitals of the organic molecules. Upon application of pressure, the intercalated crystal is predicted to transit from an antiferromagnetic to a nonmagnetic metallic state. These findings demonstrate that introducing rubidium atoms with strong reducing ability into aromatic hydrocarbons provides new opportunities for developing the magnetic properties of these materials.
Source: ACS Omega
Language: English
Open Access status: gold
Estimated APC paid: $1,935
OpenAlex ID: W7125202238
FWCI: 1.028
Cites: 51
Cited by: 1
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