波谱学杂志 ›› 1986, Vol. 3 ›› Issue (2): 131-138.

• 研究论文 • 上一篇    下一篇

D4h对称性、S=(1/2)的过渡金属顺磁化合物的ESR谱计算与模拟

白令君   

  1. 南开大学化学系
  • 收稿日期:1985-09-12 修回日期:1986-01-03 出版日期:1986-06-05 发布日期:2018-01-23

THE CALCULATION AND SIMULATION OF ESR SPECTRA OF TRANSITION METAL COMPLEXES WITH D4h SYMMETRY AND S=(1/2)

Bai Lingjun   

  1. Department of Chemistry, Nankai University
  • Received:1985-09-12 Revised:1986-01-03 Online:1986-06-05 Published:2018-01-23

摘要: 将R.Neiman和D.Kivclson[1]关于具有D4h对称性、S=(1/2)的过渡金属化合物冷冻溶液ESR谱线型的研究工作进行了扩展,解出二级近似下的吸收峰强度公式,并设计了利用PC-1500袖珍计算机进行微分谱图模拟的程序。

Abstract: The study of ESR line shapes of transition metal complexes in magnetically dilute polycrystalline samples by R. Nejman and D. kwelson has been extended. An expression of the absorption intensity, with second order approximation may be obtained. The programs have been designed fot simulation ESR derivative spctrum by SHARP PC-1500 pocket computer.