物理化学学报 >> 1994, Vol. 10 >> Issue (01): 77-81.doi: 10.3866/PKU.WHXB19940118

研究简报 上一篇    下一篇

定量共振论与MO的关系——奇共轭烃的激发态

杨丕鹏   

  1. 云南大学化学系，昆明 650091
  • 收稿日期:1992-06-08 修回日期:1992-10-15 发布日期:1994-01-15
  • 通讯作者: 杨丕鹏

A Quantifide Resonance Theory and its Relation to Mo——Excited State Behaviour of Odd Conjugated Hydrocarbons

Yang Pi-Peng   

  1. Department of Chemistry, Yunnan University, Kunming 650091
  • Received:1992-06-08 Revised:1992-10-15 Published:1994-01-15
  • Contact: Yang Pi-Peng

PDF

2785

赞

关键词: 共振论, 共振结构, 激发态

Abstract:

Quantified resonance theory (QRT) involving the use of weighting has been applied to ionization potential, electron affinity, energy of the lowest π→π~* transiton, charge density and bond order in excited state for odd π hydrocarbon radicals, anions and cations, the QRT results are in remarkable agreement with HMO, the heteroatom effects on these properties obtained by QRT are in full accord with PMO. Moreover QRT gives a simple rule for estimating whether odd nonalternant hydrocarbons containing a 5-or 7-membered ring have NBMO or not.

Key words: Resonance theouy, Reonance structures, Excited state