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@PHDTHESIS{Cojocariu:941219,
      author       = {Cojocariu, Iulia},
      title        = {{A}ctivating molecular magnetism by controlled on-surface
                      coordination},
      volume       = {91},
      school       = {Uni Duisburg-Essen},
      type         = {Dissertation},
      address      = {Jülich},
      publisher    = {Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag},
      reportid     = {FZJ-2023-00823},
      isbn         = {978-3-95806-674-8},
      series       = {Schriften des Forschungszentrums Jülich Reihe Information
                      / Information},
      pages        = {xi, 169},
      year         = {2022},
      note         = {Dissertation, Uni Duisburg-Essen, 2022},
      abstract     = {The enduring interest in the study of metallorganic
                      complexes emerges from the demonstrated multi-faced
                      applications, which range from gas sensing to memory
                      storage, and heterogeneous catalysis, as well as
                      single-molecule magnets. The fundamental properties required
                      for the molecule to achieve these functions can already be
                      intrinsically present in the molecule itself, or its
                      functionalization can be exploited to meet the desired
                      requirements. In this regard, on-surface molecular
                      functionalization serves as a mechanism to stabilize the
                      chelated metal ions in catalytically and magnetically active
                      states. The importance of the present thesis results from
                      the investigation of the factors guiding magnetism and
                      catalytic activity at the organic-metal interface, where the
                      organic molecule is chosen to be a transition metal
                      porphyrin or phthalocyanine.The first well-known factor
                      influencing the properties of the overlayer is the surface.
                      The cruciality of the substrate choice will be demonstrated
                      by combining different embedded transition metal ions,
                      characterized by a different electronic configuration, and
                      several metal surfaces,i.e. gold, silver, and copper,
                      possessing an increasing surface reactivity. By exposing
                      various interfaces to an external ligand, nitrogen dioxide,
                      it is demonstrated that only the interface formed with
                      copper retains the necessary properties for further
                      manipulating electronic andmagnetic properties of the metal
                      core through axial ligand interaction. Another important
                      factor identified in the view of organic interface
                      functionalization is the modification of molecular periphery
                      and structure. An example of this is the introduction of
                      strongly electron withdrawing groups in the metal
                      phthalocyanine, and the possibility of realizing
                      well-defined heterostacked p-n junctions is demonstrated. A
                      distinct established approach for structural modification is
                      found in molecular planarization induced by an on-surface
                      temperature-induced cyclodehydrogenation reaction. This
                      transformation allows us to define the indispensability of
                      molecular flexibility for employing these interfaces as NO2
                      sensors. However, in the case of metal phthalocyanines,
                      which are planar in their pristine form, it is shown that
                      although there is no interaction with the
                      undissociateddioxide, the molecule-substrate interface is
                      active in NO2 cleavage and the stabilization of different
                      magnetic states is still achievable.},
      cin          = {PGI-6},
      cid          = {I:(DE-Juel1)PGI-6-20110106},
      pnm          = {5211 - Topological Matter (POF4-521)},
      pid          = {G:(DE-HGF)POF4-5211},
      typ          = {PUB:(DE-HGF)3 / PUB:(DE-HGF)11},
      url          = {https://juser.fz-juelich.de/record/941219},
}