Exploring the electronic structure of CoPc by photoemission and absorption spectroscopy
(English)Manuscript (preprint) (Other academic)
Photoelectron spectroscopy and X-ray absorption spectroscopy were used to investigate the occupied and empty density of states of cobalt phthalocyanine (CoPc) in the gas phase and in thin films of different thicknesses, deposited onto a Au (111) single crystal. The comparison between experimental gas phase results and density functional theory single molecule simulations confirmed that the CoPc ground state is correctly described by the 2A1g electronic configuration. Moreover, the atomic character of the highest occupied molecular orbital of CoPc was addressed by performing photon energy dependent valence photoemission spectroscopy experiments on both CoPc gas phase and film samples. Our results clearly show that the highest occupied molecular orbital is derived only from the organic ligand, with mainly contribution from the carbon atoms. Multiplet ligand field theory was employed to simulate the Co L edge X-ray absorption spectroscopy results.
Research subject Physics with spec. in Atomic, Molecular and Condensed Matter Physics
IdentifiersURN: urn:nbn:se:uu:diva-307777OAI: oai:DiVA.org:uu-307777DiVA: diva2:1048379