Well-structured bimetallic surface capable of molecular recognition for chemoselective nitroarene hydrogenation

adsorbing nitro groups much more favorably than vinyl groups. In addition, the DFT calculations indicated that the RhIn ordered alloy presents concave Rh rows and convex In rows on its surface, which are able to capture the nitro group with end-on geometry while effectively minimizing vinyl-π adsorption. Thus, the specific and highly ordered surface structure of RhIn enables the chemoselective molecular recognition of nitro groups over vinyl groups through geometric and chemical effects.