物理化学学报 >> 1991, Vol. 7 >> Issue (04): 462-466.doi: 10.3866/PKU.WHXB19910416

研究简报 上一篇    下一篇

等性扩展基杂化轨道的构造

常光洁; 李隽   

  1. 河北师范大学化学系,石家庄 050016;中国科学院福建物质结构研究所,福州 350002
  • 收稿日期:1990-04-23 修回日期:1990-08-08 发布日期:1991-08-15
  • 通讯作者: 李隽

A Constructuion Method of the Extended Basis Hybrid Orbital

Chang Guang-Jie; Li Jun   

  1. Department of Chemistry, Hebei Teacher's University, Shijiazhuang 050016; Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002
  • Received:1990-04-23 Revised:1990-08-08 Published:1991-08-15
  • Contact: Li Jun

关键词: 杂化轨道, 构造方法, 扩展基, 最大重叠

Abstract: On the basis of the analysis of various construction methods of the hybrid orbitals, the conept of the extended basis hybrid orbital has been proposed for the hybrid orbital containing the atomic orbitals of nonvalent shell. Taking the bound conditions into account, we have derived the analytical form of the extended basis hybrid orbital with equivalent characters by using the principle of the maximum overlap. It is found that the hybrid character of one atomic orbital belonging to the central atom depends on its degree of overlap with the ligand orbitals. Some applications of this method have been given.

Key words: Hybeid orbital, Construction method, Extended basis, Maximum overlap