Acta Phys. -Chim. Sin. ›› 1996, Vol. 12 ›› Issue (11): 1015-1017.doi: 10.3866/PKU.WHXB19961112

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Magnetism and Ferromagnetic Transition Temperature of a Series of PYNN Molecules

Lu Hui-Zhe,Qiu Yong-Qing,Zhao Cheng-Da   

  1. Department of Chemistry,Northeast Normal University,Changchun 130024
  • Received:1996-04-18 Revised:1996-06-25 Published:1996-11-15
  • Contact: Zhao Cheng-Da


The p-PYNN and its derivatives have been studied using the UHF INDO method in CASSIAN 94 procedure package. Their magnetism and stability have been discussed considering the related geometries and different substituents. The ferromagnetic transition temperature of their dimers are predicted using the spin-wave method and the relationship between the transition temperature and molecular stacking modes are revealed.

Key words: pPYNN molecules, Spin-wave method, Transition temperature