中国物理B ›› 1997, Vol. 6 ›› Issue (4): 275-282.doi: 10.1088/1004-423X/6/4/005

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THEORETICAL RESEARCH ON OPTICAL,THERMAL AND MAGNETIC PROPERTIES OF DICHLOROTETRAPY-RAZOLENICKEL(TYPE II)COMPLEX

颜占先, 周小清, 戴薇   

  1. Department of Physics, Hunan Jishou University, Jishou 416000, China
  • 收稿日期:1996-02-27 出版日期:1997-04-20 发布日期:1997-04-20
  • 基金资助:
    Project supported by the Hunan Natural Science Foundation of China.

THEORETICAL RESEARCH ON OPTICAL,THERMAL AND MAGNETIC PROPERTIES OF DICHLOROTETRAPY-RAZOLENICKEL(TYPE II)COMPLEX

YAN ZHAN-XIAN (颜占先), ZHOU XIAO-QING (周小清), DAI WEI (戴薇)   

  1. Department of Physics, Hunan Jishou University, Jishou 416000, China
  • Received:1996-02-27 Online:1997-04-20 Published:1997-04-20
  • Supported by:
    Project supported by the Hunan Natural Science Foundation of China.

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摘要： In this paper, we have calculated and analyzed theoretically and consistently the absorption spectra, the ZFS and EPR parameters of the ground state, the Schottky low-temperature heat capacity, and the paramagnetic susceptibility of Ni(pz)4Cl2 (Dichlorotetrapyrazolenickel) complex by using d8[(1-C2)D*4h+C2D*2h] complete configuration mixing unified crystal field theory. The theoretical results agree with the experimental observation very well. We can give a complete and reasonable theoretical interpretation of the optical, thermal and magnetic properties of Ni(pz)4Cl2.

Abstract: In this paper, we have calculated and analyzed theoretically and consistently the absorption spectra, the ZFS and EPR parameters of the ground state, the Schottky low-temperature heat capacity, and the paramagnetic susceptibility of Ni(pz)4Cl2 (Dichlorotetrapyrazolenickel) complex by using d8[(1-C2)D*4h+C2D*2h] complete configuration mixing unified crystal field theory. The theoretical results agree with the experimental observation very well. We can give a complete and reasonable theoretical interpretation of the optical, thermal and magnetic properties of Ni(pz)4Cl2.

中图分类号:  (Organic compounds, polymers)

  • 78.30.Jw
76.30.-v (Electron paramagnetic resonance and relaxation) 73.30.+y (Surface double layers, Schottky barriers, and work functions) 65.40.Ba (Heat capacity) 71.70.Ch (Crystal and ligand fields)