University Chemistry ›› 2018, Vol. 33 ›› Issue (3): 84-86.doi: 10.3866/PKU.DXHX201711020

• Self Studies • Previous Articles    

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

Dan WANG*()   

  • Received:2017-11-20 Published:2018-03-13
  • Contact: Dan WANG


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.

Key words: Structural chemistry, Molecular orbital theory, Geometry configuration


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