Determination of the crotonaldehyde structures on Pt and PtSn surface alloys from a combined experimental and theoretical study

The most stable adsorption configurations for crotonaldehyde on Pt(1 1 1) and Pt2Sn/Pt(1 1 1) have been determined by comparing experimental vibrational spectra with the calculated spectra of all stable adsorption structures. On Pt(1 1 1), the spectrum is interpreted as a mixed phase composed of η2, η3, and η4 adsorption structures, whereas on the Pt2Sn/Pt(1 1 1) surface alloy the spectrum is dominated by the η2 adsorption form.