Microsolvation of the acetate anion [, n = 1–3]: A photoelectron spectroscopy and ab initio computational study

A combined photoelectron spectroscopy and ab initio theoretical study was carried out to study the microsolvation of the acetate anion. Photoelectron spectra of cold solvated clusters CH 3 CO 2 - ( H 2 O ) n (n = 1–3) at 12 K were obtained and compared with theoretical calculations. The first water is shown to bind to the – CO 2 - group in a bidentate fashion, whereas both water–water and water- CO 2 - interactions are shown for n = 2 and 3. Significant rearrangement of the solvation structures is observed upon electron detachment, and water–CH3 interactions are present for all the neutral clusters, CH3CO2(H2O)n (n = 1–3).