Conclusively addressing the CoPc electronic structure: a joint gas-phase and solid-state photoemission and absorption spectroscopy study
The occupied and empty densities of states of cobalt phthalocyanine (CoPc) were investigated by photoelectron and X-ray absorption spectroscopies in the gas phase and in thin films deposited on a Au(111) surface. The comparison between the gas-phase results and density functional theory single-molecule simulations confirmed that the CoPc ground state is correctly described by the 2 A 1g electronic configuration.