- AutorIn
- Dr. Junzhi Liu Technische Universität Dresden, Fakultät für Chemie und Lebensmittelchemie#Technische Universität Dresden, Center for Advancing Electronics Dresden (cfaed)
- Shantanu MishraEmpa, Swiss Federal Laboratories for Materials Science and Technology
- Carlo A. PignedoliEmpa, Swiss Federal Laboratories for Materials Science and Technology
- Daniele Passerone
- JoséI. Urgel
- Alberto Fabrizio
- Thorsten G. Lohr
- Ji Ma
- Hartmut Komber
- Martin Baumgarten
- Clemence Corminboeuf
- Dr. Reinhard Berger
- Pascal Ruffieux
- Prof. Klaus Müllen
- Roman Fasel
- Prof. Xinliang Feng
- Titel
- Open-Shell Nonbenzenoid Nanographenes Containing Two Pairs of Pentagonal and Heptagonal Rings
- Zitierfähige Url:
- https://nbn-resolving.org/urn:nbn:de:bsz:14-qucosa2-370091
- Quellenangabe
- Journal of the American Chemical Society Erscheinungsort: Washington
Verlag: ACS Publications
Erscheinungsjahr: 2019
Jahrgang: 141
Heft: 30
Seiten: 12011-12020
E-ISSN: 1520-5126 - Erstveröffentlichung
- 2019
- Abstract (EN)
- 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. Here, 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. Extensive characterization of the resultant nanographene in solution shows a low optical gap, and an open-shell singlet ground state with a low singlet–triplet gap. Employing ultra-high-resolution scanning tunneling microscopy and spectroscopy, we conduct atomic-scale structural and electronic studies on a cyclopenta-fused derivative on a Au(111) surface. The resultant five to seven rings embedded nanographene displays an extremely narrow energy gap of 0.27 eV and exhibits a pronounced open-shell biradical character close to 1 (y0 = 0.92). Our experimental results are supported by mean-field and multiconfigurational quantum chemical calculations. Access to large nanographenes with a combination of nonbenzenoid topologies and open-shell character should have wide implications in harnessing new functionalities toward the realization of future organic electronic and spintronic devices.
- Andere Ausgabe
- Link zum Artikel, der zuerst in der Zeitschrift 'Journal of the American Chemical Society' erschienen ist.
DOI: 10.1021/jacs.9b04718 - Freie Schlagwörter (DE)
- polycyclische aromatische Kohlenwasserstoffe, Nanographene
- Freie Schlagwörter (EN)
- polycyclic aromatic hydrocarbons, nanographenes
- Klassifikation (DDC)
- 540
- Verlag
- ACS Publications, Washington
- Förder- / Projektangaben
- Europäischer Sozialfonds
Horizon2020
Graphenzentrum Dresden (GraphD)
ID: 100270084 - Version / Begutachtungsstatus
- publizierte Version / Verlagsversion
- URN Qucosa
- urn:nbn:de:bsz:14-qucosa2-370091
- Veröffentlichungsdatum Qucosa
- 11.08.2020
- Dokumenttyp
- Artikel
- Sprache des Dokumentes
- Englisch
- Lizenz / Rechtehinweis