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Título: | Thermal transition from a disordered, 2D network to a regular, 1D, Fe(II)-DCNQI coordination network |
Autor: | Rodríguez-Fernández, Jonathan CSIC ORCID; Wang, Yang; Alcamí, Manuel; Martín, Fernando; Otero, Roberto; Gallego, José M. CSIC ORCID; Miranda, Rodolfo CSIC ORCID | Fecha de publicación: | 4-ago-2016 | Editor: | American Chemical Society | Citación: | Journal of Physical Chemistry C 120(30): 16712-16721 (2016) | Resumen: | We report the formation of an Fe-DCNQI (DCNQI = dicyano-p-quinodiimine) coordination network on the Ag(111) surface, where the Fe atoms are 4-fold coordinated in a square-planar geometry with the N atoms of the cyano groups. Depending on the formation temperature, the coordination network can be a two-dimensional arrangement of Fe atoms in a hexagonal lattice joined by DCNQI molecules in an apparent random way, or a set of 1D chains bound together by hydrogen bonds, but with the Fe atoms maintaining the same hexagonal lattice. The electronic structure of this network is studied by a combination of photoemission spectroscopy and theoretical calculations based on the density functional theory. In particular, we show that the oxidation state of the Fe atoms in this 1D arrangement is +2, which has been compared with the atomic charges values obtained from first-principles calculations. | Versión del editor: | https://doi.org/10.1021/acs.jpcc.6b04288 | URI: | http://hdl.handle.net/10261/186356 | DOI: | 10.1021/acs.jpcc.6b04288 | Identificadores: | doi: 10.1021/acs.jpcc.6b04288 e-issn: 1932-7455 issn: 1932-7447 |
Aparece en las colecciones: | (ICMM) Artículos |
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