Visualizing the frontier orbitals of a conformationally adapted metalloporphyrin

Alexander Weber-Bargioni, Willi Auwärter, Florian Klappenberger, Joachim Reichert, Simon Lefrançois, Thomas Strunskus, Christof Wöll, Agustin Schiffrin, Yan Pennec, Johannes V. Barth

Research output: Contribution to journalArticleOther

91 Citations (Scopus)


We present a molecular-level study of the geometric and electronic properties of CoII tetraphenylporphyrin molecules adsorbed on the Cu(111) surface. A combination of low-temperature scanning tunneling microscopy and near-edge X-ray absorption fine structure observations reveals how the metal substrate induces a conformational adaptation into a distorted saddle-shaped geometry. By scanning tunneling spectroscopy we identified the discrete energy levels of the molecule and mapped their spatial electron-density distributions. These results, along with a simple theoretical description, provide a direct correlation between the shape of frontier molecular orbitals and intramolecular structural features.

Original languageEnglish
Pages (from-to)89-94
Number of pages6
Issue number1
Publication statusPublished - 11 Jan 2008
Externally publishedYes


  • Electronic structure
  • NEXAFS spectroscopy
  • Porphyrins
  • Scanning probe microscopy
  • Single-molecule studies

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