Theoretical study of magnetic interaction between C60 anion radicals

Y. Kitagawa,Y. Nakanishi,T. Saito,K. Koizumi,M. Shoji, S. Yamada,T. Kawakami,M. Okumura, K. Yamaguchi

Polyhedron（2009）

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摘要

The magnetic interactions between two C60 anions are investigated by using unrestricted B3LYP (UB3LYP) calculations. One type of SOMO–SOMO interactions shows a week ferromagnetic interaction.

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关键词

Fullerene C60,C60-TDAE,Ferromagnetism,Effective exchange integrals (J),DFT calculation

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