Effect of the substituent on metal-molecule hybridization

Masafumi Hori, Satoshi Katano, Yousoo Kim, Maki Kawai

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)


Local electronic structures of benzoate (C6H5COO-) and aminobenzoate (NH2C6H4COO-) isomers (meta and para) adsorbed on Cu(1 1 0) have been investigated with scanning tunneling microscopy (STM) and spectroscopy (STS) at 4.7 K. STS and molecular orbital calculation study indicate that the energy level of the lowest unoccupied molecular orbital (LUMO) of free meta-aminobenzoate molecule is largely shifted to an lower energy level by adsorption on Cu(1 1 0), whereas an energy shift is relatively small for benzoate and para-aminobenzoate molecules. The large energy shift of LUMO level for meta-aminobenzoate is ascribed to the strong metal-molecule hybridization. It turns out that the electron donation from amino substituent to the phenyl ring plays a key role in this hybridization, which is also influenced by the substituted position.

Original languageEnglish
Pages (from-to)3140-3143
Number of pages4
JournalSurface Science
Issue number20
Publication statusPublished - 2008 Oct 15
Externally publishedYes


  • Aromatics
  • Density functional calculations
  • Low index single crystal surfaces
  • Scanning tunneling microscopy
  • Scanning tunneling spectroscopies
  • Surface electrical transport (surface conductivity, surface recombination, etc.)
  • Surface electronic phenomena (work function, surface potential, surface states, etc.)
  • Surface structure, morphology, roughness and topography

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry


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