The multiradical character of one- and two-dimensional graphene nanoribbons

Felix Plasser, Hasan Pašalic̈, Martin H. Gerzabek, Florian Libisch, Rafael Reiter, Joachim Burgdörfer, Thomas Müller, Ron Shepard, Hans Lischka

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Abstract

When is an acene stable? The pronounced multiradical character of graphene nanoribbons of different size and shape was investigated with high-level multireference methods. Quantitative information based on the number of effectively unpaired electrons leads to specific estimates of the chemical stability of graphene nanostructures.

Original languageEnglish
Pages (from-to)2581-2584
Number of pages4
JournalAngewandte Chemie - International Edition
Volume52
Issue number9
DOIs
StatePublished - Feb 25 2013

Keywords

  • chemical stability
  • graphene
  • multiradical character
  • multireference methods
  • quantum chemistry

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    Plasser, F., Pašalic̈, H., Gerzabek, M. H., Libisch, F., Reiter, R., Burgdörfer, J., Müller, T., Shepard, R., & Lischka, H. (2013). The multiradical character of one- and two-dimensional graphene nanoribbons. Angewandte Chemie - International Edition, 52(9), 2581-2584. https://doi.org/10.1002/anie.201207671