Acta Chimica Sinica ›› 1992, Vol. 50 ›› Issue (6): 539-542. Previous Articles     Next Articles

Original Articles

分子轨道成键性质及原子间化学键强度的成键能判据

孙仁安;王长生;牛淑云;杨忠志   

  1. 辽宁师范大学化学系;吉林大学化学系;吉林大学理论化学研究所
  • 发布日期:1992-06-15

The bonding energy criterion of molecular orbital bond character and bond strength between atoms

SUN RENAN;WANG CHANGSHEN;NIU SHUYUN;YANG ZHONGZHI   

  • Published:1992-06-15

In this paper, the concept of bonding energy Eb was proposed and used as the criterion of the bond character of MO and the strength of chem. bond between atoms in a mol. It's different from Mulliken's overlap population criterion Pb that both of the energy factor of AOs and the overlap factor between AOs are included in Eb. From the results of calcns. of Pb and Eb for a great no. of mols., it was shown that the bonding energy criterion is as good as the Mulliken's overlap population criterion qual., and is better than that quant.f

Key words: MOLECULAR ORBIT, CHEMICAL BONDS, BONDING, ENERGY

CLC Number: