1D Coordination Polymers of 1,1′-Dibromoferrocene Following Debromination on Ag(111)

Recent advances in the control of on-surface reactions have helped develop the ability to synthesize novel organic 1D and 2D architectures. Ferrocene (C10H10Fe) is a molecular building block that holds particular appeal for nanoarchitectonics because of its many functional properties. Here, we show that 1,1′-dibromoferrocene forms ordered 1D structures following debromination at 373 K on Ag(111). Using a combination of X-ray photoelectron spectroscopy (XPS) and scanning tunnelling microscopy (STM), we establish that the debrominated molecules assemble into packed arrays of 1D architectures, with the lines extending along ⟨110⟩. Density functional theory (DFT) screening of candidate structures, based on Tersoff–Hamann simulated STM images, allows us to identify the 1D lines as organometallic polymers comprising silver adatoms. Gas-phase spin-polarized DFT shows a single-spin contribution to the density of states at the Fermi level, suggesting that the lines possess half-metallicity. These 1D organometallic polyferrocenes may therefore be candidates for applications in spintronics.