Published October 25, 2019 | Version v1
Dataset Open

Open-shell Non-benzenoid Nanographenes Containing Two Pairs of Pentagonal and Heptagonal Rings

  • 1. Center for Advancing Electronics Dresden (cfaed) & Department of Chemistry and Food Chemistry, Technische Universität Dresden, 01062 Dresden, Germany
  • 2. nanotech@surfaces Laboratory, Empa − Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland
  • 3. National Centre for Computational Design and Discovery of Novel Materials (MARVEL), 1015 Lausanne, Switzerland and Laboratory for Computational Molecular Design, École Polytechnique Fédérale de Lausanne, Avenue F.-A. Forel 2, 1015 Lausanne, Switzerland
  • 4. Leibniz-Institut für Polymerforschung Dresden e.V., Hohestraße 6, 01069 Dresden, Germany
  • 5. Max-Planck Institut für Polymerforschung, 55128 Mainz, Germany
  • 6. nanotech@surfaces Laboratory, Empa − Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland and Department of Chemistry and Biochemistry, University of Bern, 3012 Bern, Switzerland

* Contact person

Description

Nonbenzenoid carbocyclic rings are postulated to serve as important structural elements toward tuning the chemical and electronic properties of extended polycyclic aromatic hydrocarbons (PAHs, or namely nanographenes), necessitating a rational and atomically precise synthetic approach toward their fabrication. This record contains data supporting a recent work where, using a combined bottom-up in-solution and on-surface synthetic approach, we report the synthesis of nonbenzenoid open-shell nanographenes containing two pairs of embedded pentagonal and heptagonal rings.

Files

File preview

files_description.md

All files

Files (334.1 MiB)

Name Size
md5:1d592d6a01a1066b10f05d9f694d5491
402 Bytes Preview Download
md5:1028a3a723e68313c16c11cbf0d431e9
334.1 MiB Download
md5:0b0f0b7becf356e28bc102f693d2a2b0
14.5 KiB Preview Download
md5:0b9dbc5faa4bcb96a2a5324751a25b6c
52.6 KiB Download

References

Journal reference (Manuscript where the data are discussed)
J. Liu, S. Mishra, C. Pignedoli, D. Passerone, J. I. Urgel, A. Fabrizio, T. Lohr, J. Ma, H. Komber, M. Baumgarten , C. Corminboeuf, R. Berger, P. Ruffieux, K. Müllen, R. Fasel, X. Feng J. Am. Chem. Soc. 141, 12011-12020 (2019), doi: 10.1021/jacs.9b04718