Electronic structure of the molecular switch tetra-tert-butyl-azobenzene adsorbed on Ag(111)

被引:51
作者
Tegeder, P.
Hagen, S.
Leyssner, F.
Peters, M. V.
Hecht, S.
Klamroth, T.
Saalfrank, P.
Wolf, M.
机构
[1] Free Univ Berlin, Fachbereich Phys, D-14195 Berlin, Germany
[2] Max Planck Inst Kohlenforsch, D-45470 Mulheim, Germany
[3] Univ Potsdam, Inst Chem, D-144476 Potsdam, Germany
来源
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING | 2007年 / 88卷 / 03期
关键词
D O I
10.1007/s00339-007-4047-0
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
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 2.85 eV is observed, whereas the gap obtained from the calculated molecular orbital energies is 0.92 eV larger. This discrepancy can be explained by image charge screening. Furthermore, two unoccupied final states located 0.18 and 0.43 eV above the vacuum level, respectively, have been identified.
引用
收藏
页码:465 / 472
页数:8
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