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1951年二茂铁的发现,为有机金属配合物的研究开辟了一个全新的领域。关于二茂铁衍生物的成键和结构已进行过不少讨论。一般认为其稳定性主要来自于金属d轨道和碳氢化合物π电子的重叠。曾经用各种物理方法对它们进行过研究。但至今尚未见对它们的~(13)C核磁共振谱的系统报道。本文合成了两个双取代二茂铁化合物1,1′-二茂铁二甲醇(Ⅰ)和1,1′-二茂铁二甲醛(Ⅱ),对它们进行了~(13)C核磁共振谱的测定,并将实验结果和我们的INDO/σ理论计算进行了比较,得到了较为满意的结果。
The discovery of ferrocene in 1951 opened up a whole new field for the study of organometallic complexes. There has been much discussion about the bonding and structure of ferrocene derivatives. It is generally believed that its stability comes mainly from the overlap of metal d orbitals and hydrocarbon π electrons. They have been studied by various physical methods. However, up to now, there is no systematic report about their 13C nuclear magnetic resonance spectra. In this paper, two bis-substituted ferrocene compounds 1,1’-ferrocene dimethanol (Ⅰ) and 1,1’-ferrocene dicarboxaldehyde (Ⅱ) were synthesized and their 13C nuclear magnetic resonance Spectra were measured, and the experimental results were compared with our theoretical calculation of INDO / σ, and satisfactory results were obtained.