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Molecular orbital tomography, also termed photoemission tomography, which considers thefinal state as a simple planewave, has been very successful in describing the photoemisson distribution of large adsorbates on noblemetal surfaces. Here, following a suggestion by Bradshaw andWoodruff (2015New J. Phys. 17 013033), we consider a small and strongly-interacting system, benzene adsorbed on palladium (110), to consider the extent of the problems that can arise with thefinal state simplification.Our angle-resolved photoemission experiments, supported by density functional theory calculations, substantiate and refine the previously determined adsorption geometry and reveal an energetic splitting of the frontierπ-orbital due to a symmetry breakingwhich has remained unnoticed before.We find that, despite the small size of benzene and the comparably strong interactionwith palladium, the overall appearance of the photoemission angular distributions can basically be understoodwithin a planewavefinal state approximation and yields a deeper understanding of the electronic structure of the interface. There are, however, noticeable deviations betweenmeasured and simulated angular patterns whichwe ascribe tomolecule-substrate interactions and effects beyond a plane-wave final state description.

Can photoemission tomography be useful for small, strongly-interacting adsorbate systems?