物理化学学报 >> 1990, Vol. 6 >> Issue (05): 541-548.doi: 10.3866/PKU.WHXB19900507

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稀土二苯甲酰甲烷螯合物Ln(DBM)3·H2O振动光谱的简正坐标分析

张建华; 梁映秋   

  1. 吉林大学理论化学研究所
  • 收稿日期:1989-06-20 修回日期:1989-12-21 发布日期:1990-10-15
  • 通讯作者:

The Vibrational Spectra and Normal Coordinate Treatment on Lanthanide-Chelate Compounds with Dibenzoylmethane

Zhang Jian-Hua; Liang Ying-Qiu   

  1. Institute of Theoretical Chemistry, Jilin University, Changchun
  • Received:1989-06-20 Revised:1989-12-21 Published:1990-10-15
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摘要： 本文报道了Ln(DBM)_3·H_2O的简正坐标分析结果, 计算中采用了单螯合坏近似模型, 计算结果和红外、拉曼光谱观测频率符合较好, 所得到的一组力常数, 具有较好的转移性质. 讨论了一些重要谱带的性质。

Abstract: In this paper, FT-IR and Raman spectra of Lanthanide-Dibenzoylmethanate chelate compounds were reported. A normal coordinate treatment was made by using a single chelate ring model. The calulated frequencies were in good agreement with the observed ones. The force constants obtained from the calculation have a good transferable property. Some important bands were discussed in detail.