| 共轭分子结构与其性质关系——Ⅵ、二茂铁的三维芳香性 |
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| 引用本文： | 张明春.共轭分子结构与其性质关系——Ⅵ、二茂铁的三维芳香性[J].河南师范大学学报(自然科学版),1987(4). |
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| 作者姓名： | 张明春 |
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| 作者单位： | 河南师范大学化学系 |
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| 摘 要： | 本文用休克尔型分子轨道模型,采用铁的5个d轨道与上下两个茂环的2P_z轨道重迭的方法,计算了二茂铁与其相关化合物的共轭能。得出这些化合物具有三维芳香性的结论。
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| 关 键 词： | 芳香性 二茂铁 图论 共轭体系 |
RELATION BETWEE CONJUGATED MOLECULES STRUCTURES AND THIRE PROPERTIES——Ⅵ、THREE——DIMENSIONAL AROMATICITY OF FERROCENE |
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| Zhang Mingchun.RELATION BETWEE CONJUGATED MOLECULES STRUCTURES AND THIRE PROPERTIES——Ⅵ、THREE——DIMENSIONAL AROMATICITY OF FERROCENE[J].Journal of Henan Normal University(Natural Science),1987(4). |
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| Authors: | Zhang Mingchun |
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| Institution: | Department of chemistry |
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| Abstract: | This article reports on three-dimensional aromaticity of Ferrocene. The conjugated systems of ferrocene and related compounds were constructed by using five equivalent 3d orbitals of iron and carbon 2p_2 orbitals of the cyclopentadienyl or Pentadienyl groups. Ferrocene with such a conjugated system was found to have poitive resonance energy due to cyclic conjugation, and was characterized as a three-dimensional aromatic species. |
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| Keywords: | aromaticity ferrocene graph theory conjugatd systems |
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