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@ARTICLE{Ruan:1044874,
      author       = {Ruan, Zilin and Fan, Qitang and Reichmann, Alexander and
                      Kang, Faming and Naumann, Tim and Werner, Simon and
                      Kleykamp, Olaf and Martinez-Castro, Jose and Lüpke, Felix
                      and Haags, Anja and Bocquet, François C. and Kumpf,
                      Christian and Soubatch, Serguei and Sundermeyer, Jörg and
                      Puschnig, Peter and Tautz, F. Stefan and Gottfried, J.
                      Michael and Wenzel, Sabine},
      title        = {{H}ighly {S}tructure‐{S}elective {O}n‐{S}urface
                      {S}ynthesis of {I}sokekulene {V}ersus {K}ekulene},
      journal      = {Angewandte Chemie / International edition},
      volume       = {64},
      number       = {36},
      issn         = {1433-7851},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2025-03408},
      pages        = {e202509932},
      year         = {2025},
      abstract     = {The role of different facets of metal nanoparticles in
                      steering reaction pathways is crucial for the design
                      ofheterogeneous catalysts with superior selectivity. As a
                      prominent class of reactions, transition-metal-catalyzed
                      carbon-hydrogen (C─H) bond activation is widely used for
                      the synthesis of base chemicals, modern organic materials,
                      andpharmaceuticals. Here, we report orthogonal selectivity
                      in intramolecular cyclodehydrogenation of a nonplanar
                      cyclicprecursor steered by different facets of a copper
                      single crystal. On the Cu(110) surface, the previously
                      unknown cycloareneisokekulene forms with a high selectivity
                      of $92\%,$ whereas reaction on the Cu(111) surface
                      exclusively yields $kekulene(>99\%).$ Combining scanning
                      tunneling microscopy with CO-functionalized tips and density
                      functional theory, we identifytwo adsorption geometries of
                      the precursor, which react to the respective products.
                      Isokekulene adopts two nonplanaradsorption configurations
                      and exhibits strong molecule-substrate interactions,
                      explaining its preferential formation onCu(110). This
                      combined in-solution and on-surface synthesis approach
                      represents an alternative route for the highlyselective
                      synthesis of molecules that are challenging to synthesize
                      and process via conventional methods.},
      cin          = {PGI-3},
      ddc          = {540},
      cid          = {I:(DE-Juel1)PGI-3-20110106},
      pnm          = {5213 - Quantum Nanoscience (POF4-521) / SFB 1083 A12 -
                      Struktur und Anregungen von hetero-epitaktischen
                      Schichtsystemen aus schwach wechselwirkenden 2D-Materialien
                      und molekularen Schichten (A12) (385975694) / DFG project
                      G:(GEPRIS)511561801 - Manipulierung von 2D Supraleitung und
                      Majorana Zuständen auf der Nanoskala (511561801)},
      pid          = {G:(DE-HGF)POF4-5213 / G:(GEPRIS)385975694 /
                      G:(GEPRIS)511561801},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {40629813},
      UT           = {WOS:001538912000001},
      doi          = {10.1002/anie.202509932},
      url          = {https://juser.fz-juelich.de/record/1044874},
}