大学化学2018，Vol.33Issue(3)：84-86,3.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
Application of Simplified Hückel Molecular Orbital Theory to Judge the Geometric Configuration of H4and lts Molecular lons
王丹1
作者信息
- 1. 兰州大学物理科学与技术学院,兰州 730000
- 折叠
摘要
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 H4non-conjugated systems to calculate the orbital energy. Based on the calculation results, the students can well understand the reason why H4is a linear configuration while H4is a tetrahedral configuration.关键词
结构化学/分子轨道理论/几何构型Key words
Structural chemistry/Molecular orbital theory/Geometry configuration分类
社会科学引用本文复制引用
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):84-86,3.
