Exploring the Relation between Intramolecular Conjugation and Band Dispersion in One-Dimensional Polymers

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Autor/in:
Erscheinungsjahr:
2017
Medientyp:
Text
Schlagworte:
  • Scanning tunneling microscopy
  • Self assembly
  • On-surface synthesis
  • Organic Light Emitting Diodes (OLED)
  • Solar Cells
  • Conjugated Polymers
  • Scanning tunneling microscopy
  • Self assembly
  • On-surface synthesis
  • Organic Light Emitting Diodes (OLED)
  • Solar Cells
  • Conjugated Polymers
Beschreibung:
  • Making use of the inherent surface anisotropy of different high index surface planes vicinal to the low index Au(111) orientation, one-dimensional polymers have been synthesized following established procedures from two different precursor molecules. The successful polymerization of both 4,4″-dibromo-p-terphenyl and 5,5′-dibromo-salophenato-Co(II) precursors into poly(p-phenylene) and poly[salophenato-Co(II)], respectively, has been confirmed by scanning tunneling microscopy and low energy electron diffraction. Angle-resolved photoemission spectroscopy data reveal a highly dispersive band in the case of poly(p-phenylene) while no significant dispersion is resolved for poly[salophenato-Co(II)]. On the basis of density functional theory calculations, we explain this observation as a result of a high conjugation along the aromatic phenyl groups in poly(p-phenylene) that is absent in the case of poly[salophenato-Co(II)], where intramolecular conjugation is interrupted in the salophenato-Co(II) unit. Furthermore, we make use of multicenter and delocalization indexes to characterize the electron mobility (corresponding to a high band dispersion) along different paths associated with individual molecular orbitals.
Lizenz:
  • info:eu-repo/semantics/restrictedAccess
Quellsystem:
Forschungsinformationssystem der UHH

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oai:www.edit.fis.uni-hamburg.de:publications/75245da8-ba5e-4634-a407-6fa1cc151012