Spectroscopic mapping and selective electronic tuning of molecular orbitals in phosphorescent organometallic complexes – a new strategy for OLED materials

• Pascal R. Ewen,
• Jan Sanning,
• Tobias Koch,
• Nikos L. Doltsinis,
• Cristian A. Strassert and
• Daniel Wegner

Beilstein J. Nanotechnol. 2014, 5, 2248–2258, doi:10.3762/bjnano.5.234

• transfer; density-functional theory; frontier orbitals; hybridization; OLED; Pt(II) complex; scanning tunneling microscopy; scanning tunneling spectroscopy; triplet emitters; Introduction Organic light emitting diodes (OLEDs) based on phosphorescent Ir(III) or Pt(II) complexes (also referred to as triplet

• formation of a SOMO. Therefore we conclude that the experimental findings are in favor of the second scenario, the formation of bonding and antibonding states. Independent of the mechanism, we can summarize that Pt(II) complex C1 exhibits a peculiar site-specific strong hybridization accompanied by a charge