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有机金属化合物的振动光谱(Ⅱ)——1,1′-二甲基环戊二烯铁夹心化合物振动光谱的简正坐标计算
引用本文:刘举正,冯艳,姜世梅,赵文运,梁映秋.有机金属化合物的振动光谱(Ⅱ)——1,1′-二甲基环戊二烯铁夹心化合物振动光谱的简正坐标计算[J].物理化学学报,1988,4(6):578-586.
作者姓名:刘举正  冯艳  姜世梅  赵文运  梁映秋
作者单位:Institute of Theoretical Chemistry; Jilin University; Chang Chun
摘    要:测定了(CH_3Cp)_2Fe(Cp=C_5H_4~-)夹心化合物的Fourier变换红外光谱和激光Raman光谱, 并做了指认, 将G-F矩阵法计算得到的Cp_2M(M=Mn,Fe,Ru)夹心化合物的一套力常数, 完整地转移到该分子上, 计算得到的振动光谱频率与测得的基本一致。

收稿时间:1987-03-28
修稿时间:1987-10-26

THE VIBRATIONAL SPECTRA OF ORGANOMETALLIC COMPOUNDS (Ⅱ) FT-INFRARED,LASER RAMAN SPECTRA AND NORMAL COORDINATE CALCULATION FOR 1,1'-DIMETHYLFERROCENE
Liu Juzheng,Feng Yan,Jiang Shimei,Zhao Wenyun,Liang Yinqiu.THE VIBRATIONAL SPECTRA OF ORGANOMETALLIC COMPOUNDS (Ⅱ) FT-INFRARED,LASER RAMAN SPECTRA AND NORMAL COORDINATE CALCULATION FOR 1,1'-DIMETHYLFERROCENE[J].Acta Physico-Chimica Sinica,1988,4(6):578-586.
Authors:Liu Juzheng  Feng Yan  Jiang Shimei  Zhao Wenyun  Liang Yinqiu
Institution:Institute of Theoretical Chemistry; Jilin University; Chang Chun
Abstract:FT-IR and Laser Raman spectra of (CH_3Cp)_2Fe have been measured. On the basis of qualitative assignment the force constants of Cp_2M(M=Mn,Fe,Ru) obtained by G-F matrix have been translated to the molecule of (CH_3Cp)_2Fe, only the metal coordinate force constants have been adjusted. The same method of G-F matrix has been used for calculating the vibrational spectra frequencies of (CH_3Cp)_2Fe, the result is consistent with the observal one.
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