Asymmetric saddling of single porphyrin molecules on Au(111)
Sprache des Titels:
Englisch
Original Kurzfassung:
The interaction of organometallic molecules with metal surfaces affects their conformation and
accordingly their functionality. Surprising conformational complexity is revealed in single Auporphyrin
molecules on Au(111) exhibiting a variety of different asymmetric conformers. A combination
of low-temperature scanning tunneling microscopy (LT-STM) and -spectroscopy (STS)
experiments with density functional theory (DFT) calculations discloses different registries of the
pyrroles with the substrate lattice (determined and quantified with atomic precision) that cause
asymmetric sub-Å buckling of the macrocycle and, furthermore, a red-shift of the frontier-orbital
energy gap
Sprache der Kurzfassung:
Englisch
Journal:
Physical Review B: Condensed Matter and Materials Physics