| 定量共振论与MO的关系——奇共轭烃的激发态 |
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| 引用本文： | 杨丕鹏.定量共振论与MO的关系——奇共轭烃的激发态[J].物理化学学报,1994,10(1):77-81. |
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| 作者姓名： | 杨丕鹏 |
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| 作者单位： | Department of Chemistry, Yunnan University, Kunming 650091 |
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| 摘 要： |
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| 关 键 词： | 共振论 共振结构 激发态 |
| 收稿时间： | 1992-06-08 |
| 修稿时间： | 1992-10-15 |
A Quantifide Resonance Theory and its Relation to Mo——Excited State Behaviour of Odd Conjugated Hydrocarbons |
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| Yang Pi-Peng.A Quantifide Resonance Theory and its Relation to Mo——Excited State Behaviour of Odd Conjugated Hydrocarbons[J].Acta Physico-Chimica Sinica,1994,10(1):77-81. |
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| Authors: | Yang Pi-Peng |
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| Institution: | Department of Chemistry, Yunnan University, Kunming 650091 |
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| 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. |
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| Keywords: | Resonance theouy Reonance structures Excited state |
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