Vibrational spectra of La@C60 and Ce@C60 endohedral fullerenes: Influence of spin state multiplicity

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY(2021)

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摘要
•Endohedral fullerenes with paramagnetic encapsulated atoms are new magnetic materials.•They have new vibrational frequencies not associated with empty fullerenes.•The vibrational spectrum depends considerably on the encapsulated atom’s spin state.
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关键词
Spin excited states,Infrared vibrational spectra,Endohedral metallofullerenes,Metal–cage vibration frequencies
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