Exploring the electronic structure of CoPc by photoemission and absorption spectroscopy

Teng, ZhangUppsala universitet,Molekyl- och kondenserade materiens fysik (author)

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.

Iulia, BrumboiuUppsala universitet,Materialteori(Swepub:uu)iulbr817 (author)
Lüder, JohannUppsala universitet,Materialteori(Swepub:uu)johlu696 (author)
Cesare, GrazioliUniversity of Trieste (author)
Valeria, LanzilottoUppsala universitet,Molekyl- och kondenserade materiens fysik(Swepub:uu)valla860 (author)
Erika, GiangrisostomiInstitute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin (author)
Ruslan, OvsyannikovInstitute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin (author)
Sassa, YasmineUppsala universitet,Molekyl- och kondenserade materiens fysik(Swepub:uu)yassa981 (author)
Ieva, BidermaneInstitute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin (author)
Matija, StuparUniversity of Nova Gorica, Slovenia (author)
Monica, de SimoneCNR-IOM, Italy (author)
Marcello, CorenoCNR-ISM, Italy (author)
Barbara, ResselUniversity of Nova Gorica, Slovenia (author)
Maddalena, PedioCNR-IOM, Italy (author)
Petra, RudolfZernike Institute for Advanced Materials, University of Groningen, Netherland (author)
Brena, BarbaraUppsala universitet,Materialteori(Swepub:uu)bbr15304 (author)
Puglia, CarlaUppsala universitet,Molekyl- och kondenserade materiens fysik(Swepub:uu)carlapug (author)
Uppsala universitetMolekyl- och kondenserade materiens fysik (creator_code:org_t)

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