Determination of the adsorption site of a polyatomic adsorbate using vibrational spectroscopy and ab initio calculations: methoxy on Cu(100)
Using vibrational spectroscopy and ab initio electronic structure calculations of small metal cluster models we have determined the adsorption site of methoxy on Cu(100). The experimental vibrational frequencies are very well reproduced by the model cluster representing the four-fold hollow adsorption site in contrast to calculated frequencies for model clusters representing bridge and on-top adso
