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Crystal Structure and Magnetic Modulation of Rubidium-Intercalated 2‑Phenylnaphthalene
Xiaolin Wu1, Hui Yang2, Mingan Fu3
1School of Physics and Electronic-Information Engineering, Hubei Engineering University, Xiaogan 432000, China.
Abstract:
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 μB. 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-5s electrons from intercalated rubidium are transferred to the C-2p 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.
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