化学学报 ›› 1988, Vol. 46 ›› Issue (2): 131-136. 上一篇    下一篇

研究论文

有机金属化合物的振动光谱I:环戊二烯夹心化合物的力常数计算

冯艳;刘举正;赵文运;张刚;梁映秋   

  1. 吉林大学理论化学研究所
  • 发布日期:1988-02-15

The vibrational spectra of organometallic compounds I: On the calculation of force constant for metallocene

FENG YAN;LIU JUZHENG;ZHAO WENYUN;ZHANG GANG;LIANG YINGQIU   

  • Published:1988-02-15

测定了过渡金属环戊二烯夹心化合物的红外与激光拉曼光谱,在此基础上,用G-F矩阵法计算了这类化合物的力常数.讨论了环戊二烯与金属间化学键的性质.

关键词: 计算, 环戊二烯 P, 光谱分析, 有机金属化合物, 金属茂络合物, 振动谱, 力常数

On the basis of FT-IR and laser Raman spectra of (h5-Cp)2M (Cp = C5H5; M = Mn, Fe, Ru), the force constants of the given compounds have been calculated by a G-F matrix program and the nature of the Cp-M chem. bond has been discussed.

Key words: CALCULATION, CYCLOPENTADIENE P, SPECTROGRAPHIC ANALYSIS, ORGANOMETALLIC COMPOUNDS, METALLOCENES, VIBRATIONAL SPECTRA, FORCE CONSTANT

中图分类号: