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Multiple Ionic-Covalent Couplings in Molecules and Clusters
Gwang-Hi Jeung *
Author NameAffiliationE-mail
Gwang-Hi Jeung * Aix-Marseille Université & CNRS, Chimie Théorique (UMR6264, Case-521), Campus de Saint-Jér?me,13397 Marseille Cedex, France jeung@up.univ-mrs.fr 
Abstract:
The electronic states of molecules made of electropositive and electronegative components result from the interference between the covalent configurations and the ionic configurations.This work shows complex aspects of these ionic-covalent couplings in small molecules such as Li2H, Li2F, and Li4F. The extension of this type of analysis to the adsorption of the electrophilic molecules on the metal clusters or on the metal surfaces is supposed to lead to a radically new interpretation of the observed physical and chemical properties.
Key words:  Surface adsorption, Electron transfer, Covalent configuration, Ionic configuration, Electronic state
FundProject:
Multiple Ionic-Covalent Couplings in Molecules and Clusters
Gwang-Hi Jeung *
摘要:
由电正和电负组元构成的分子的电子态是共价构型和离子构型相互干涉作用的结果. 研究揭示了在Li2H、Li2F和Li4F等小分子中离子-共价耦合的复杂性. 将这一类分析扩展至金属团簇或者金属表面对亲电分子的吸附将会对于观测到的物理和化学性质提供全新的解释.
关键词:  表面吸附,电子转移,共价构型,离子构型,电子态
DOI:10.1088/1674-0068/22/02/187-190
分类号: