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

Abstract

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
JournalChemPhysChem
Volume9
Issue number1
DOIs
Publication statusPublished - 11 Jan 2008
Externally publishedYes

Keywords

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

Cite this

Weber-Bargioni, A., Auwärter, W., Klappenberger, F., Reichert, J., Lefrançois, S., Strunskus, T., ... Barth, J. V. (2008). Visualizing the frontier orbitals of a conformationally adapted metalloporphyrin. ChemPhysChem, 9(1), 89-94. https://doi.org/10.1002/cphc.200700600
Weber-Bargioni, Alexander ; Auwärter, Willi ; Klappenberger, Florian ; Reichert, Joachim ; Lefrançois, Simon ; Strunskus, Thomas ; Wöll, Christof ; Schiffrin, Agustin ; Pennec, Yan ; Barth, Johannes V. / Visualizing the frontier orbitals of a conformationally adapted metalloporphyrin. In: ChemPhysChem. 2008 ; Vol. 9, No. 1. pp. 89-94.
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Weber-Bargioni, A, Auwärter, W, Klappenberger, F, Reichert, J, Lefrançois, S, Strunskus, T, Wöll, C, Schiffrin, A, Pennec, Y & Barth, JV 2008, 'Visualizing the frontier orbitals of a conformationally adapted metalloporphyrin' ChemPhysChem, vol. 9, no. 1, pp. 89-94. https://doi.org/10.1002/cphc.200700600

Visualizing the frontier orbitals of a conformationally adapted metalloporphyrin. / Weber-Bargioni, Alexander; Auwärter, Willi; Klappenberger, Florian; Reichert, Joachim; Lefrançois, Simon; Strunskus, Thomas; Wöll, Christof; Schiffrin, Agustin; Pennec, Yan; Barth, Johannes V.

In: ChemPhysChem, Vol. 9, No. 1, 11.01.2008, p. 89-94.

Research output: Contribution to journalArticleOther

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AU - Weber-Bargioni, Alexander

AU - Auwärter, Willi

AU - Klappenberger, Florian

AU - Reichert, Joachim

AU - Lefrançois, Simon

AU - Strunskus, Thomas

AU - Wöll, Christof

AU - Schiffrin, Agustin

AU - Pennec, Yan

AU - Barth, Johannes V.

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Weber-Bargioni A, Auwärter W, Klappenberger F, Reichert J, Lefrançois S, Strunskus T et al. Visualizing the frontier orbitals of a conformationally adapted metalloporphyrin. ChemPhysChem. 2008 Jan 11;9(1):89-94. https://doi.org/10.1002/cphc.200700600