引用本文:
王丹. 简单Hückel分子轨道理论判断H4分子及离子的几何构型[J]. 大学化学,
2018, 33(3): 84-86.
doi:
10.3866/PKU.DXHX201711020
Citation: WANG Dan. Application of Simplified Hückel Molecular Orbital Theory to Judge the Geometric Configuration of H4 and Its Molecular Ions[J]. University Chemistry, 2018, 33(3): 84-86. doi: 10.3866/PKU.DXHX201711020
Citation: WANG Dan. Application of Simplified Hückel Molecular Orbital Theory to Judge the Geometric Configuration of H4 and Its Molecular Ions[J]. University Chemistry, 2018, 33(3): 84-86. doi: 10.3866/PKU.DXHX201711020
简单Hückel分子轨道理论判断H4分子及离子的几何构型
English
Application of Simplified Hückel Molecular Orbital Theory to Judge the Geometric Configuration of H4 and Its Molecular Ions
Abstract:
Simplified Hückel molecular orbital (SHMO) theory is one of the important knowledge points in the course of structural chemistry. It has been widely used in the calculation of π-electron delocalization and the orbital energy for plane conjugated molecule. In this paper, the SHMO theory was applied to the H4 non-conjugated systems to calculate the orbital energy. Based on the calculation results, the students can well understand the reason why H4 is a linear configuration while H4 is a tetrahedral configuration.
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Key words:
- Structural chemistry
- / Molecular orbital theory
- / Geometry configuration
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