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Spectroscopic fingerprints of amine and imide functional groups in self-assembled monolayers.
Authors:Miguel Ruiz‐Osés  Thorsten Kampen Dr.  Nora González‐Lakunza  Iñaki Silanes Dr.  Philipp M. Schmidt‐Weber  André Gourdon Dr.  Andrés Arnau Prof.  Karsten Horn Prof.  J. Enrique Ortega Prof.
Affiliation:1. Departamento de Física Aplicada I, Universidad del País Vasco, Plaza de O?ate 2, 20018 Donostia‐San Sebastián, Spain;2. DIPC, Manuel Lardizabal 4, 20018 San Sebastián, Spain;3. Unidad de Física de Materiales, Centro Mixto CSIC‐UPV/EHU, Manuel Lardizabal 3, 20018 San Sebastián, Spain, Fax: (+34)?943‐018289;4. Fritz‐Haber‐Institut der Max‐Planck‐Gesellschaft, Faradayweg 4–6, 14195 Berlin, Germany, Fax: (+49)?30‐8413‐3101;5. Departamento de Física de Materiales UPV/EHU, Facultad de Química, Apartado 1072, San Sebastián 20080, Spain;6. Groupe NanoSciences, CEMES‐CNRS (UPR 8011), BP 94347, 29 Rue J. Marvig, 31055 Toulouse Cedex 4, France, Fax: (+33)?5‐62‐25‐79‐99
Abstract:
The electronic structures of naphthalene tetracarboxylic diimide (NTCDI) and 1,4-bis(4,6-diamino-1,3,5-triazin-2-yl)benzene (BDG) monolayer assemblies grown on Au(111) are investigated by photoemission spectroscopy, X-ray absorption, and density functional theory. The different spectroscopic features in the absorption and core-level photoemission spectra are understood in terms of contributions from different core and molecular levels at N- and O-atom sites. This study provides clear spectroscopic fingerprints for amine and imide functional end groups, which drive the self-organization process in a number of planar, pi-conjugated molecular structures.
Keywords:density functional calculations  electronic structure  monolayers  photoemission  X‐ray absorption spectroscopy
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