Diels-Alder addition of some 6- and 5-member ring aromatic compounds on the Si(001)-2×1 surface: Dependence of the binding energy on the resonance energy of the aromatic compounds

An energy decomposition scheme is proposed for understanding of the relative low binding energy of the [4+2] cycloaddition of benzene on the Si(001)-2×1 surface. By means of density functional cluster model calculations, this scheme is demonstrated to be applicable to some other 6- and 5-member ring aromatic compounds, giving a trend that the binding energy of the [4+2] cycloaddition products of those aromatic compounds on the Si(001) surface depends strongly on their resonance energy.