物理化学学报 >> 1996, Vol. 12 >> Issue (11): 1015-1017.doi: 10.3866/PKU.WHXB19961112

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PYNN分子系列的磁性与相变温度

路慧哲,仇永清,赵成大   

  1. 东北师范大学化学系，长春 130024
  • 收稿日期:1996-04-18 修回日期:1996-06-25 发布日期:1996-11-15
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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
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关键词: pPYNN分子, 自旋波方法, 相变温度

Abstract:

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