The exchange coupling between the valence electrons of the fullerene cage and the electrons of the N atoms in N@C60^{-1,3}

L. Udvardi

arxiv: 0909.3939 · v1 · submitted 2009-09-22 · ❄️ cond-mat.mes-hall · cond-mat.other

The exchange coupling between the valence electrons of the fullerene cage and the electrons of the N atoms in N@C60^(-1,3)

L. Udvardi This is my paper

classification ❄️ cond-mat.mes-hall cond-mat.other

keywords couplingelectronsexchangecagecalculationsfullereneanionsatom

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MCSCF calculations are performed in order to determine the exchange coupling between the 2p electrons of the N atom and the LUMOs of the fullerene cage in the case of mono- and tri-anions of N@C60. The exchange coupling resulted by our calculations is large compared to the hyperfine interaction. The strong coupling can explain the missing EPR signal of the nitrogen in paramagnetic anions.

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The exchange coupling between the valence electrons of the fullerene cage and the electrons of the N atoms in N@C60^(-1,3)

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