Thermal Stability and CO Permeability of [C4C1Pyr][NTf2]/Pd(111) Model SCILLs: from UHV to Ambient Pressure

Abstract Solid catalysts with ionic liquid layers (SCILLs) are heterogeneous which benefit significantly in terms of selectivity from a thin coating an (IL). In the present work, we study interaction CO Pd model SCILL consisting 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)-imide ([C 4 C 1 Pyr][NTf 2 ]) film deposited on Pd(111). We investigate permeability and stability IL via pressure modulation experiments by infrared reflection absorption spectroscopy (IRAS) ultrahigh vacuum (UHV) at ambient conditions time-resolved, temperature-programmed, polarization-modulated (PM) IRAS experiments. addition, performed molecular dynamics (MD) simulations to identify adsorption motifs, their abundance, influence CO. find strongly bound wetting monolayer (ML) potentially dewetting multilayer. Molecular reorientation interface multilayer allow for accumulation metal/IL interface. Our results confirm that co-adsorption changes structure layer confirms importance systems under situ conditions. Graphical abstract