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Steering On‐Surface Reactions by a Self‐Assembly Approach
Abstract:4,4′‐Bis(2,6‐difluoropyridin‐4‐yl)‐1,1′:4′,1′′‐terphenyl (BDFPTP) molecules underwent dehydrocyclization and covalent coupling reactions on Au(111) according to scanning tunneling microscopy (STM) measurements and density functional theory (DFT) calculations. Self‐assembly of the reactants in well‐defined molecular domains prior to reaction could greatly enhance the regioselectivity of the dehydrocyclization reaction and suppress defluorinated coupling, demonstrating that self‐assembly can efficiently steer on‐surface reactions. Such a strategy could be of great importance in surface chemistry and widely applied to control on‐surface reactions.
Keywords:Dehydrocyclisierungen  Dichtefunktionaltheorie  Rastertunnelmikroskopie  Reaktionen auf Oberflä  chen  Selbstorganisation
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