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

X. Lü*, Ming-Chang Lin, X. Xu, N. Wang, Q. Zhang

*Corresponding author for this work

Research output: Contribution to journalArticle

4 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)473-477
Number of pages5
JournalScience in China, Series B: Chemistry
Volume44
Issue number5
DOIs
StatePublished - 1 Jan 2001

Keywords

  • Adsorption
  • Aromatic compound
  • Cluster model
  • Density functional theory
  • Diels-Alder reaction
  • Silicon

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