Electronic Structure of a Self-Assembled Monolayer with Two Surface Anchors: 6-Mercaptopurine on Au(111)
The electronic structure of aromatic and aliphatic thiols on Au(111) has been extensively studied in relation to possible applications in molecular electronics. In this work, the effect on the electronic structure of an additional anchor to the S-Au bond using 6-mercaptopurine as a model system has...
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American Chemical Society
2018
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| LEADER | 14759caa a22011297a 4500 | ||
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| 001 | PAPER-16926 | ||
| 003 | AR-BaUEN | ||
| 005 | 20230518204800.0 | ||
| 008 | 190410s2018 xx ||||fo|||| 00| 0 eng|d | ||
| 024 | 7 | |2 scopus |a 2-s2.0-85046648833 | |
| 040 | |a Scopus |b spa |c AR-BaUEN |d AR-BaUEN | ||
| 030 | |a LANGD | ||
| 100 | 1 | |a Fernández, C.C. | |
| 245 | 1 | 0 | |a Electronic Structure of a Self-Assembled Monolayer with Two Surface Anchors: 6-Mercaptopurine on Au(111) |
| 260 | |b American Chemical Society |c 2018 | ||
| 270 | 1 | 0 | |m Williams, F.J.; Departamento de Química Inorgánica, Analítica y Química Física, Facultad de Ciencias Exactas y Naturales, INQUIMAE-CONICET, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón 2, Argentina; email: fwilliams@qi.fcen.uba.ar |
| 506 | |2 openaire |e Política editorial | ||
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| 520 | 3 | |a The electronic structure of aromatic and aliphatic thiols on Au(111) has been extensively studied in relation to possible applications in molecular electronics. In this work, the effect on the electronic structure of an additional anchor to the S-Au bond using 6-mercaptopurine as a model system has been investigated. Results from X-ray photoelectron spectroscopy, near-edge X-ray absorption fine structure spectroscopy, and density functional theory (DFT) confirm that this molecule adsorbs on Au(111) with S-Au and iminic N-Au bonds. Combined ultraviolet photoelectron spectroscopy and DFT data reveal that formation of the 6MP self-assembled monolayer generates a molecular dipole perpendicular to the surface, with negative charges residing at the metal/monolayer interface and positive charges at the monolayer/vacuum interface, which lowers the substrate work function. Scanning tunneling microscopy shows two surface molecular domains: a well-ordered rectangular lattice where molecules are tilted on average 30° with respect to the substrate and aligned 6MP islands where molecules are standing upright. Finally, we found a new electronic state located at -1.7 eV with respect to the Fermi level that corresponds to a localized π molecular state, while the state corresponding to the N-Au bond is hybridized with Au d electrons and stabilized at much lower energies (-3 eV). Copyright © 2018 American Chemical Society. |l eng | |
| 536 | |a Detalles de la financiación: Agencia Nacional de Promoción Científica y Tecnológica, PICT 2016-0679 | ||
| 536 | |a Detalles de la financiación: Consejo Nacional de Investigaciones Científicas y Técnicas | ||
| 536 | |a Detalles de la financiación: Ministerio de Economía y Competitividad, ENE2016-74889-C4-2-R | ||
| 536 | |a Detalles de la financiación: P.C. acknowledges MINECO (ENE2016-74889-C4-2-R, AEI-FEDER-UE) and also thankfully acknowledges the computer resources provided by the Computer Support Service for Research (SAII) at the La Laguna University. R.S. thanks ANPCyT for the financial support (PICT 2016-0679). C.C.F. and F.J.W. acknowledge the financial support from CONICET. We acknowledge the financial support from the Brazilian Synchrotron Light Laboratory LNLS to use the PGM beamline. | ||
| 593 | |a Departamento de Química Inorgánica, Analítica y Química Física, Facultad de Ciencias Exactas y Naturales, INQUIMAE-CONICET, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón 2, Buenos Aires, C1428EHA, Argentina | ||
| 593 | |a Facultad de Ciencias Exactas, Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), Universidad Nacional de la Plata, CONICET, La Plata, 1900, Argentina | ||
| 593 | |a Área de Química Física, Departamento de Química, Facultad de Ciencias, Universidad de la Laguna, Instituto de Materiales y Nanotecnología, Avda. Francisco Sánchez, s/n, La Laguna, Tenerife, 38200, Spain | ||
| 690 | 1 | 0 | |a ELECTRONIC STRUCTURE |
| 690 | 1 | 0 | |a INTERFACES (MATERIALS) |
| 690 | 1 | 0 | |a MOLECULES |
| 690 | 1 | 0 | |a SELF ASSEMBLED MONOLAYERS |
| 690 | 1 | 0 | |a SELF ASSEMBLY |
| 690 | 1 | 0 | |a 6-MERCAPTOPURINE |
| 690 | 1 | 0 | |a ALIPHATIC THIOLS |
| 690 | 1 | 0 | |a MOLECULAR DIPOLE |
| 690 | 1 | 0 | |a MOLECULAR DOMAINS |
| 690 | 1 | 0 | |a MOLECULAR STATE |
| 690 | 1 | 0 | |a NEGATIVE CHARGE |
| 690 | 1 | 0 | |a POSITIVE CHARGES |
| 690 | 1 | 0 | |a RECTANGULAR LATTICES |
| 690 | 1 | 0 | |a SUBSTRATES |
| 700 | 1 | |a Pensa, E. | |
| 700 | 1 | |a Carro, P. | |
| 700 | 1 | |a Salvarezza, R. | |
| 700 | 1 | |a Williams, F.J. | |
| 773 | 0 | |d American Chemical Society, 2018 |g v. 34 |h pp. 5696-5702 |k n. 20 |p Langmuir |x 07437463 |t Langmuir | |
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