高等学校化学学报 ›› 1988, Vol. 9 ›› Issue (8): 864.

• 论文 • 上一篇    下一篇

含氧酸盐熔盐Raman光谱V1峰位移的解释

邵俊, 马剑鹏, 阎立诚, 陈念贻   

  1. 上海科技大学
  • 收稿日期:1987-02-26 出版日期:1988-08-24 发布日期:1988-08-24
  • 通讯作者: 邵俊

On the Explanation of the Shift of Raman Frequency of Oxyanions in Molten Salts

Shao Jun, Ma Jianpeng, Yan Licheng, Chen Nianyi   

  1. Shanghai University of Science and Technology, Shanghai
  • Received:1987-02-26 Online:1988-08-24 Published:1988-08-24

摘要: 若干含氧酸盐熔盐Raman光谱表明:含氧酸根离子的v1峰(对称伸缩振动散射)位置随阳离子不同而异,James在解释NO3-在熔盐中的Raman光谱时,认为正电场较强的阳离子可能使NO3-中N—O键电子云密度增加,从而使力常数增大,v1峰频率上升。为了探讨这一观点是否正确以及它对其它含氧酸根离子是否适用,我们用EHMO方法计算了若干由碱金属离子Me+和含氧酸根离子XOmm-(包括NO3-、NO2-、IO3-等)组成的原子簇(Me+)x(XOnm-)中的X—O键的重叠集居数和原子净电荷,并考察其与相应的熔盐的Raman光谱v1峰位置的关系。以探讨v1峰位移的物理实质。

关键词: 含氧酸盐, 熔盐, Raman光谱, v1峰位移, 重叠集居数

Abstract: Aquantum chemical interpretation of the shifts of v1 peaks of Ramanspectra of the oxyanions in molten salt systems has been proposed, based on thecalculation by EHMO method. It can be seen that the cations of alkaline metalswith higher Z/r values make the electron overlap population of X—O bondincreased, and give rise to the Raman spectra with higher v1 frequency.

Key words: Oxyanions in molten salt, Raman frequency, Overlap population

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