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Open Access item Supramolecular environment-dependent electronic properties of metal-organic interfaces

Authors:Sayed, A. el
Mowbray, D. J.
García-Lastra, J. M.
Rogero, Celia
Wakayama, Yutaka
Rubio Secades, Ángel
Ortega, J. Enrique
Oteyza, D. G. de
Issue Date:2012
Publisher:American Chemical Society
Citation:Journal of Physical Chemistry C 116(7): 4780-4785 (2012)
Abstract:Model donor-acceptor assemblies at metal-organic interfaces, namely, fluorinated copper-phthalocyanines (F 16CuPC) and pentacene (PEN) assemblies on the Au(111) surface, have been the focus of the present study. A full picture of the crystallographic and electronic structure of PEN and F 16CuPC monolayers as well as of their 1:1 binary mixture on the Au(111) surface has been explored by means of a variety of surface-sensitive techniques, providing important information on the intermolecular and molecule-substrate interactions governing the self-assembly process. A long-range ordered donor-acceptor network is observed for the mixture as a result of the greatly enhanced intermolecular interaction via C-F···H-C hydrogen bonds. Interestingly, the new supramolecular structure involves changes in the electronic structure of the molecular components. In particular, the strongest changes are observed at the C and F atoms of the F 16CuPc, as opposed to the F 16CuPc N, Cu, or PEN C atoms. With the aid of theoretical calculations, such effects are found to be at least partially related to an upward shift in energy of the F 16CuPc molecular orbitals, concomitant with a molecule-to-metal charge donation, not from the HOMO, but deeper lying orbitals. © 2012 American Chemical Society.
Description:El pdf del artículo es el manuscrito de autor.-- et al.
Publisher version (URL):http://dx.doi.org/10.1021/jp211749g
Identifiers:doi: 10.1021/jp211749g
issn: 1932-7447
Appears in Collections:(CFM) Artículos

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