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@ARTICLE{Sforzini:838205,
      author       = {Sforzini, Jessica and Posseik, Francois and Tautz, Frank
                      Stefan},
      title        = {{A}dsorption-induced symmetry reduction of
                      metal-phthalocyanines studied by vibrational spectroscopy},
      journal      = {Physical review / B},
      volume       = {96},
      number       = {16},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2017-06867},
      pages        = {165410},
      year         = {2017},
      abstract     = {We investigate the vibrational properties of Pt- and
                      Pd-phthalocyanine (PtPc and PdPc) molecules on Ag(111) with
                      high-resolution electron energy loss spectroscopy (HREELS).
                      In the monolayer regime, both molecules exhibit long-range
                      order. The vibrational spectra prove a flat adsorption
                      geometry. The redshift of specific vibrational modes
                      suggests a moderate interaction of the molecules with the
                      substrate. The presence of asymmetric vibrational peaks
                      indicates an interfacial dynamical charge transfer (IDCT).
                      The molecular orbital that is involved in IDCT is the former
                      Eg lowest unoccupied molecular orbital (LUMO) of the
                      molecules that becomes partially occupied upon adsorption. A
                      group-theoretical analysis of the IDCT modes, based on
                      calculated vibrational frequencies and line shape fits,
                      provides proof for the reduction of the symmetry of the
                      molecule-substrate complex from fourfold D4h to C2v(σv),
                      Cs(σv), or C2 and the ensuing lifting of the degeneracy of
                      the former LUMO of the molecule. The vibration-based
                      analysis of orbital degeneracies, as carried out here for
                      PtPc/Ag(111) and PdPc/Ag(111), is particularly useful
                      whenever the presence of multiple molecular in-plane
                      orientations at the interface makes the analysis of orbital
                      degeneracies with angle-resolved photoemission spectroscopy
                      difficult.},
      cin          = {PGI-3},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-3-20110106},
      pnm          = {523 - Controlling Configuration-Based Phenomena (POF3-523)},
      pid          = {G:(DE-HGF)POF3-523},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000412365700011},
      doi          = {10.1103/PhysRevB.96.165410},
      url          = {https://juser.fz-juelich.de/record/838205},
}