Supramolecular Environment-Dependent Electronic Properties of Metal鈥揙rganic Interfaces.

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• 作者：Afaf El-Sayed ; Duncan J. Mowbray ; Juan M. Garc铆a-Lastra ; Celia Rogero ; Elizabeth Goiri ; Patrizia Borghetti ; Ayse Turak ; Bryan P. Doyle ; Martina Dell鈥橝ngela ; Luca Floreano ; Yutaka Wakayama ; Angel Rubio ; J. Enrique Ortega ; Dimas G. de Oteyza
• 刊名：The Journal of Physical Chemistry C
• 出版年：2012
• 出版时间：February 23, 2012
• 年：2012
• 卷：116
• 期：7
• 页码：4780-4785
• 全文大小：391K
• 年卷期：v.116,no.7(February 23, 2012)
• ISSN：1932-7455

文摘

Model donor鈥揳cceptor assemblies at metal鈥搊rganic interfaces, namely, fluorinated copper-phthalocyanines (F₁₆CuPC) 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 F₁₆CuPC 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鈥搒ubstrate interactions governing the self-assembly process. A long-range ordered donor鈥揳cceptor network is observed for the mixture as a result of the greatly enhanced intermolecular interaction via C鈥揊路路路H鈥揅 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 F₁₆CuPc, as opposed to the F₁₆CuPc 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 F₁₆CuPc molecular orbitals, concomitant with a molecule-to-metal charge donation, not from the HOMO, but deeper lying orbitals.