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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 shu

Application of Simplified Hückel Molecular Orbital Theory to Judge the Geometric Configuration of H₄ and Its Molecular Ions

WANG Dan

Physical Science and Technology College, Lanzhou University, Lanzhou 730000, P. R. China

Received Date: 20 November 2017

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.
- Structural chemistry,
- Molecular orbital theory,
- Geometry configuration
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Application of Simplified Hückel Molecular Orbital Theory to Judge the Geometric Configuration of H4 and Its Molecular Ions

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通讯作者: 陈斌, bchen63@163.com

Application of Simplified Hückel Molecular Orbital Theory to Judge the Geometric Configuration of H₄ and Its Molecular Ions