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@ARTICLE{Haags:1041585,
      author       = {Haags, Anja and Yang, Xiaosheng and Egger, Larissa and
                      Brandstetter, Dominik and Kirschner, Hans and Bocquet,
                      François C. and Koller, Georg and Gottwald, Alexander and
                      Richter, Mathias and Gottfried, J. Michael and Ramsey,
                      Michael G. and Puschnig, Peter and Soubatch, Serguei and
                      Tautz, F. Stefan},
      title        = {{M}omentum-space imaging of σ-orbitals for chemical
                      analysis},
      publisher    = {arXiv},
      reportid     = {FZJ-2025-02324},
      year         = {2021},
      abstract     = {Tracing the modifications of molecules in surface chemical
                      reactions benefits from the possibility to image their
                      orbitals. While delocalized frontier orbitals with
                      π-character are imaged routinely with photoemission orbital
                      tomography, they are not always sensitive to local chemical
                      modifications, particularly the making and breaking of bonds
                      at the molecular periphery. For such bonds, σ-orbitals
                      would be far more revealing. Here, we show that these
                      orbitals can indeed be imaged in a remarkably broad energy
                      range, and that the plane wave approximation, an important
                      ingredient of photoemission orbital tomography, is also well
                      fulfilled for these orbitals. This makes photoemission
                      orbital tomography a unique tool for the detailed analysis
                      of surface chemical reactions. We demonstrate this by
                      identifying the reaction product of a dehalogenation and
                      cyclodehydrogenation reaction.},
      keywords     = {Chemical Physics (physics.chem-ph) (Other) / Mesoscale and
                      Nanoscale Physics (cond-mat.mes-hall) (Other) / FOS:
                      Physical sciences (Other)},
      cin          = {PGI-3},
      cid          = {I:(DE-Juel1)PGI-3-20110106},
      pnm          = {5213 - Quantum Nanoscience (POF4-521)},
      pid          = {G:(DE-HGF)POF4-5213},
      typ          = {PUB:(DE-HGF)25},
      doi          = {10.48550/ARXIV.2111.00250},
      url          = {https://juser.fz-juelich.de/record/1041585},
}