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@ARTICLE{vanStraaten:845001,
      author       = {van Straaten, Gerben and Franke, Markus and Soubatch,
                      Serguei and Stadtmüller, Benjamin and Duncan, David A. and
                      Lee, Tien-Lin and Tautz, Frank Stefan and Kumpf, Christian},
      title        = {{R}ole of the {C}entral {M}etal {A}tom in
                      {S}ubstrate-{M}ediated {M}olecular {I}nteractions in
                      {P}hthalocyanine-{B}ased {H}eteromolecular {M}onolayers},
      journal      = {The journal of physical chemistry / C},
      volume       = {122},
      number       = {15},
      issn         = {1932-7455},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {FZJ-2018-02332},
      pages        = {8491–8504},
      year         = {2018},
      abstract     = {Molecular monolayer films containing two different types of
                      molecules (so-called heteromolecular films) are promising
                      candidates for the controlled functionalization of
                      metal–organic hybrid interfaces. This is particularly true
                      for blends formed by charge donor and acceptor molecules.
                      Here we study heteromolecular monolayer systems containing
                      3,4,9,10-perylene-tetra-carboxylic-dianhydride (PTCDA) as
                      charge acceptor, and either copper(II) or tin(II)
                      phthalocyanine (CuPc or SnPc) as charge donor, adsorbed on
                      Ag(111). We find that both systems exhibit structural phases
                      with identical lateral ordering (isostructural phases),
                      which is an important prerequisite for studying the role of
                      the central metal atom without competing effects caused by
                      different lateral structures. Using normal incidence X-ray
                      standing waves and photoemission tomography we find distinct
                      differences in the (vertical) geometric and electronic
                      structure for the heteromolecular systems under study: While
                      the vertical structure of CuPc is essentially unaffected by
                      mixing with PTCDA, the SnPc clearly reacts to the formation
                      of a blend by reducing its adsorption height by
                      approximately 0.2 Å. Also, the vertical structure of the
                      PTCDA anhydride groups changes strongly: While the anhydride
                      oxygen atoms are located below the perylene core for most
                      mixed phases, for one of the PTCDA + CuPc phases it is lying
                      above the perylene core. Regarding the electronic structure
                      we find that while mixing with PTCDA causes a complete
                      depletion of the CuPc former lowest unoccupied molecular
                      orbital (FLUMO), the SnPc FLUMO is pinned to the Fermi level
                      instead, and thus it remains partially filled. We
                      demonstrate that all these differences are driven by the
                      rearrangement of the substrate electron density in the
                      vicinity of the PTCDA molecules, which are caused by the
                      interaction with the metal phthalocyanine molecules.},
      cin          = {PGI-3},
      ddc          = {540},
      cid          = {I:(DE-Juel1)PGI-3-20110106},
      pnm          = {143 - Controlling Configuration-Based Phenomena (POF3-143)},
      pid          = {G:(DE-HGF)POF3-143},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000430896500051},
      doi          = {10.1021/acs.jpcc.8b02689},
      url          = {https://juser.fz-juelich.de/record/845001},
}