| 四甲基环戊二烯铁和四甲基环戊二烯钌的振动光谱及简正坐标分析计算 |
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| 引用本文： | 姜世梅,刘举正,梁映秋.四甲基环戊二烯铁和四甲基环戊二烯钌的振动光谱及简正坐标分析计算[J].光谱学与光谱分析,1995(3). |
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| 作者姓名： | 姜世梅 刘举正 梁映秋 |
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| 作者单位： | 吉林大学理化所，吉林大学分子光谱与分子结构开放实验室，南京大学化学系 |
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| 摘 要： | 本文采用简化一般价力场对Ｆｅ（Ｃ５Ｍｅ４Ｈ）２，Ｒｕ（Ｃ５Ｍｅ４Ｈ）２的振动光谱作了简正坐标分析计算，得到了一套合理的力常数，并对振动频率进行了指认。
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| 关 键 词： | 四甲基环戊二烯铁，四甲基环戊二烯钉，振动光谱，简正坐标分析 |
VIBRATIONAL SPECTRA AND NORMAL COORDINATE CALCULATION OF Fe (C_5Me_4H )_2 AND Ru (C_5Me_4H )_2 |
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| JIANG Shimei and LIU Juzheng.VIBRATIONAL SPECTRA AND NORMAL COORDINATE CALCULATION OF Fe (C_5Me_4H )_2 AND Ru (C_5Me_4H )_2[J].Spectroscopy and Spectral Analysis,1995(3). |
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| Authors: | JIANG Shimei and LIU Juzheng |
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| Abstract: | The vibrational force field of Fe(C5MeH4)2 has been transferred to Fe(C5Me4H)2 and Ru (C5Me4H)2. Only the metal coordinate force constants have been adjusted apparently The observed frequencies are assigned as calculating results.The calculated vibrational spectra frequencies are consistent with the observed ones.The average error is abort 2%. The ring about breathing vibration band is the most strong in Raman spectrum. For Fe(C5Me4H)2 and Ru (C5Me4H)2,the ring breathing vibration models become complicated as C--CMe streching vibration get involved in. |
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| Keywords: | Fe (C_5Me_4H )_5 Ru (C_5Me_4H )_2 Vibrational spectrum Normal coordinate analysis |
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