Beilstein J. Nanotechnol.2014,5, 2248–2258, doi:10.3762/bjnano.5.234
) are powerful tools to correlate the electronic properties of phosphorescent complexes (i.e., tripletemitters) with their molecular structure as well as the local environment around a single molecule. We used spectroscopic mapping to visualize several occupied and unoccupied molecular frontier
-defined positions can alter specific molecular orbitals without influencing the others. The results open a path toward the tailored design of electronic and optical properties of tripletemitters by smart ligand substitution, which may improve the performance of future OLED devices.
Keywords: charge
transfer; density-functional theory; frontier orbitals; hybridization; OLED; Pt(II) complex; scanning tunneling microscopy; scanning tunneling spectroscopy; tripletemitters; Introduction
Organic light emitting diodes (OLEDs) based on phosphorescent Ir(III) or Pt(II) complexes (also referred to as triplet
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Figure 1:
Molecular structure of the complexes C1 to C4. In all cases the Pt atom is fourfold coordinated by ...