caa a22 4500 463211367 CHVBK 20180405153141.0 cr unu---uuuuu 170326e20070801xx s 000 0 eng 10.1007/s00339-007-4047-0 doi (NATIONALLICENCE)springer-10.1007/s00339-007-4047-0 Electronic structure of the molecular switch tetra- tert -butyl-azobenzene adsorbed on Ag(111) [Elektronische Daten] [P. Tegeder, S. Hagen, F. Leyssner, M.V. Peters, S. Hecht, T. Klamroth, P. Saalfrank, M. Wolf] Occupied and unoccupied electronic states in tetra-tert-butyl-azobenzene (TBA) absorbed on Ag(111) have been investigated by one-photon and two-photon photoemission spectroscopy. These measurements allow the quantitative determination of energetic positions of the highest occupied (HOMO) and the lowest unoccupied molecular orbital (LUMO) as well as the n=1 image potential state. The assignment of the electronic states are supported by quantum chemical calculations. Experimentally a HOMO-LUMO gap of 2.85eV is observed, whereas the gap obtained from the calculated molecular orbital energies is 0.92eV larger. This discrepancy can be explained by image charge screening. Furthermore, two unoccupied final states located 0.18 and 0.43eV above the vacuum level, respectively, have been identified. Springer-Verlag, 2007 Tegeder P. Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195, Berlin, Germany aut Hagen S. Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195, Berlin, Germany aut Leyssner F. Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195, Berlin, Germany aut Peters M.V. Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470, Mülheim an der Ruhr, Germany aut Hecht S. Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470, Mülheim an der Ruhr, Germany aut Klamroth T. Theoretische Chemie, Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, 14476, Potsdam-Golm, Germany aut Saalfrank P. Theoretische Chemie, Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, 14476, Potsdam-Golm, Germany aut Wolf M. Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195, Berlin, Germany aut Applied Physics A Springer-Verlag 88/3(2007-08-01), 465-472 0947-8396 88:3<465 2007 88 339 https://doi.org/10.1007/s00339-007-4047-0 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s00339-007-4047-0 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Tegeder P. Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195, Berlin, Germany aut NATIONALLICENCE 700 1- Hagen S. Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195, Berlin, Germany aut NATIONALLICENCE 700 1- Leyssner F. Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195, Berlin, Germany aut NATIONALLICENCE 700 1- Peters M.V. Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470, Mülheim an der Ruhr, Germany aut NATIONALLICENCE 700 1- Hecht S. Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470, Mülheim an der Ruhr, Germany aut NATIONALLICENCE 700 1- Klamroth T. Theoretische Chemie, Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, 14476, Potsdam-Golm, Germany aut NATIONALLICENCE 700 1- Saalfrank P. Theoretische Chemie, Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, 14476, Potsdam-Golm, Germany aut NATIONALLICENCE 700 1- Wolf M. Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195, Berlin, Germany aut NATIONALLICENCE 773 0- Applied Physics A Springer-Verlag 88/3(2007-08-01), 465-472 0947-8396 88:3<465 2007 88 339 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer