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    Energy-level alignment at interfaces between manganese phthalocyanine and C60
    (Frankfurt, M. : Beilstein-Institut zur Förderung der Chemischen Wissenschaften, 2017-4-25) Waas, Daniel; Rückerl, Florian; Knupfer, Martin; Büchner, Bernd
    We have used photoelectron spectroscopy to determine the energy-level alignment at organic heterojunctions made of manganese phthalocyanine (MnPc) and the fullerene C60. We show that this energy-level alignment depends upon the preparation sequence, which is explained by different molecular orientations. Moreover, our results demonstrate that MnPc/C60 interfaces are hardly suited for application in organic photovoltaic devices, since the energy difference of the two lowest unoccupied molecular orbitals (LUMOs) is rather small.
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    Charge transfer from and to manganese phthalocyanine: bulk materials and interfaces
    (Frankfurt, M. : Beilstein-Institut zur Förderung der Chemischen Wissenschaften, 2017-8-4) Rückerl, Florian; Waas, Daniel; Büchner, Bernd; Knupfer, Martin; Zahn, Dietrich R. T.; Haidu, Francisc; Hahn, Torsten; Kortus, Jens
    Manganese phthalocyanine (MnPc) is a member of the family of transition-metal phthalocyanines, which combines interesting electronic behavior in the fields of organic and molecular electronics with local magnetic moments. MnPc is characterized by hybrid states between the Mn 3d orbitals and the π orbitals of the ligand very close to the Fermi level. This causes particular physical properties, different from those of the other phthalocyanines, such as a rather small ionization potential, a small band gap and a large electron affinity. These can be exploited to prepare particular compounds and interfaces with appropriate partners, which are characterized by a charge transfer from or to MnPc. We summarize recent spectroscopic and theoretical results that have been achieved in this regard.
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    Charge transfer characteristics of F6TCNNQ–gold interface
    (Chichester [u.a.] : Wiley, 2020) Kuhrt, Robert; Hantusch, Martin; Knupfer, Martin; Büchner, Bernd
    The metal–organic interface between polycrystalline gold and hexafluorotetracyanonaphthoquinodimethane (F6TCNNQ) was investigated by photoelectron spectroscopy with the focus on the charge transfer characteristics from the metal to the molecule. The valence levels, as well as the core levels of the heterojunction, indicate a full electron transfer and a change in the chemical environment. The changes are observed in the first F6TCNNQ layers, whereas for further film growth, only neutral F6TCNNQ molecules could be detected. New occupied states below the Fermi level were observed in the valence levels, indicating a lowest unoccupied molecular orbital (LUMO) occupation due to the charge transfer. A fitting of the spectra reveals the presence of a neutral and a charged F6TCNNQ molecules, but no further species were present.
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    Synthesis and charge transfer characteristics of a ruthenium–acetylide complex
    (London : Royal Society of Chemistry, 2020) Kuhrt, Robert; Ho, Po-Yuen; Hantusch, Martin; Lissel, Franziska; Blacque, Olivier; Knupfer, Martin; Büchner, Bernd
    A novel ruthenium–acetylide complex was synthesised and characterised in solid state and solution. Thin films of the complex were evaporated on silver and gold foils in ultra high vacuum in order to probe the electronic properties with photoemission spectroscopy. The charge transfer characteristics of the complex with the strong acceptor F6TCNNQ were investigated by UV-vis absorption in solution as well as at an interface with photoemission spectroscopy. A new excitation in the former optical gap of the pristine materials was probed in solution. Moreover, it was possible to identify the oxidised complex as well as the reduced acceptor by X-ray photoemission spectroscopy. In particular, our data reveal that oxidation of the complex mainly occurs at the Ru centre. The charge transfer can be characterised as localised and mainly ionic although signs of a reaction of the acceptors aminogroups with the ruthenium–acetylide complex were found.