Microsolvation of the acetate anion [CH3CO-2(H2O)n,n=1-3]: A photoelectron spectroscopy and ab initio computational sutdy
Journal Article
·
· Chemical Physics Letters, 477(1-3):41-44
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).
- Research Organization:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 974489
- Report Number(s):
- PNNL-SA-68754; 25395; KP1704020
- Journal Information:
- Chemical Physics Letters, 477(1-3):41-44, Journal Name: Chemical Physics Letters, 477(1-3):41-44 Journal Issue: 1-3 Vol. 477; ISSN CHPLBC; ISSN 0009-2614
- Country of Publication:
- United States
- Language:
- English
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