Jump to main content
Jump to site search


Polymorphism and metal-induced structural transformation in 5,5′-bis(4-pyridyl)(2,2′-bispyrimidine) adlayers on Au(111)

Abstract

Metal-organic coordination networks self-assembled on surfaces have emerged as functional low-dimensional architectures with potential applications ranging from the fabrication of functional nanodevices to electrocatalysis. Among them, bis-pyridyl-bispyrimidine (PBP) and Fe-PBP on noble metal surfaces appear as interesting systems to reveal details of molecular self-assembly and the effect of metal incorporation on the organic network arrangement. Here, we report a combined STM, XPS, and DFT study revealing polymorphism for bis-pyridyl-bispyrimidine adsorbed adlayers on the reconstructed Au(111) surface. The polymorphic structures are converted by the addition of Fe adatoms into one unique Fe-PBP surface structure. DFT calculations show that while all PBP phases exhibit similar thermodynamic stability, metal incorporation selects the PBP structure which maximizes the number of Fe-N close contacts. Charge transfer from the Fe adatom to the Au substrate and N-Fe interactions stabilize the Fe-PBP adlayer. The increased thermodynamic stability of the metal-stabilized structure leads to its sole expression on the surface.

Back to tab navigation

Supplementary files

Publication details

The article was received on 16 Nov 2017, accepted on 26 Apr 2018 and first published on 01 May 2018


Article type: Paper
DOI: 10.1039/C7CP07746G
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
  •   Request permissions

    Polymorphism and metal-induced structural transformation in 5,5′-bis(4-pyridyl)(2,2′-bispyrimidine) adlayers on Au(111)

    D. Hoetger, P. Carro, R. Gutzler, B. Wurster, R. Chandrasekar, S. Klyatskaya, M. Ruben, R. C. Salvarezza, K. Kern and D. E. Grumelli, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C7CP07746G

Search articles by author

Spotlight

Advertisements