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 CH3CO-2 ðH2OÞn (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).
Revised: July 4, 2010 |
Published: July 28, 2009
Citation
Wang X.B., B. Jagoda-Cwiklik, C. Chi, X. Xing, M. Zhou, P. Jungwirth, and L.S. Wang. 2009.Microsolvation of the acetate anion [CH3CO-2(H2O)n,n=1-3]: A photoelectron spectroscopy and ab initio computational sutdy.Chemical Physics Letters 477, no. 1-3:41-44.PNNL-SA-68754.