“…Unsolvated Na/Br carbenoid was explored in two configurations: first, with the Na atom pointing to the surface (configuration A) and second, with the Br atom of carbenoid pointing to the surface (configuration B), see Figure . Compared to the large interaction of Na or Br atoms with metallic surfaces, we deemed other adsorption configurations unlikely because of the low interaction energy gain from the hydrogen atoms of phenyl rings pointing toward metal surfaces. , The differential charge map reveals a charge redistribution between the Na/Br carbenoid and the silver surface, see Figure c. Below the Na atom, there is an accumulation of charge, whereas the charge is reduced around the sulfur atoms.…”