Role of the Anchored Groups in the Bonding and Self-Organization of Macrocycles: Carboxylic versus Pyrrole Groups

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• 作者：Rub茅n Gonz谩lez-Moreno ; Aran Garcia-Lekue ; Andr茅s Arnau ; Marta Trelka ; Jos茅 M. Gallego ; Roberto Otero ; Alberto Verdini ; Carlos S谩nchez-S谩nchez ; Pedro L. de Andr茅s ; Jos茅 脕ngel Mart铆n-Gago ; Celia Rogero
• 刊名：The Journal of Physical Chemistry C
• 出版年：2013
• 出版时间：April 18, 2013
• 年：2013
• 卷：117
• 期：15
• 页码：7661-7668
• 全文大小：409K
• 年卷期：v.117,no.15(April 18, 2013)
• ISSN：1932-7455

文摘

A combination of variable temperature scanning tunneling microscopy, near edge X-ray adsorption fine structure and density functional theory has been used to investigate the chemisorption and self-assembly of metal-free protoporphyrin IX molecules on Cu(110) surface. The molecules in contact with the substrate suffer irreversible molecular transformations, mainly deprotonation of the carboxylic groups and metalation of the pyrroline subunits. The carboxylate group has been revealed as the anchored group versus the tetrapyrrole ring. We study the role played by the carboxylic acid groups in the surface-molecular bonding and how its presence affects the supramolecular structure.