DFT studies on the phenol and thiophenol interaction on an undecagold cluster surface

The adsorption of phenol or thiophenol over the Au11 cluster is proceeded through the activation of O-H or S-H bonds; for phenol, OH group while for thiophenol, both the benzene ring and SH group help the bond formation with the Au11, observing that the activation of proton of thiophenol is much greater than that of phenol.