Aqueous solutions of sodium acetate, NaCH₃CO₂, and acetic acid, CH₃COOH, were studied using Raman and infrared spectroscopy. The spectra were recorded over a large concentration range, in the terahertz region and up to 4000 cmˉ¹. In the isotropic Raman spectrum in R-format, a polarized band at 189 cmˉ¹ was assigned to the υ₁Na–O stretch of the hydrated Na⁺-ion and a shoulder at 245 cmˉ¹ to the restricted translation band, υsO–H⋯O* of the hydrated acetate ion, CH₃CO₂ˉ(aq). The CH₃CO₂ˉ(aq) and the hydrated acetic acid, CH₃COOH(aq), possess pseudo Cs symmetry. Geometrical parameters for the species in the gas phase and for CH₃CO₂ˉ(aq) and CH₃COOH(aq) are reported. Characteristic bands for CH₃CO2ˉ(aq) and CH₃COOH(aq) were assigned under the guidance of the DFT vibrational frequency calculations and discussed in detail. In aqueous NaCH₃CO₂ solutions, at high concentrations, no contact ion pairs could be detected, but instead solvent separated ion pairs were found. In LiCH₃CO₂(aq), however, contact ion pairs are formed which is indicated by the appearance of a shoulder at 939 cmˉ¹ and the shift of the symmetric stretching mode of the –CO₂ˉ group to higher wavenumbers.
| Identifer | oai:union.ndltd.org:DRESDEN/oai:qucosa:de:qucosa:36074 |
| Date | 02 September 2020 |
| Creators | Rudolph, Wolfram W., Fischer, Dieter, Irmer, Gert |
| Publisher | Royal Society of Chemistry |
| Source Sets | Hochschulschriftenserver (HSSS) der SLUB Dresden |
| Language | English |
| Detected Language | English |
| Type | info:eu-repo/semantics/publishedVersion, doc-type:article, info:eu-repo/semantics/article, doc-type:Text |
| Rights | info:eu-repo/semantics/openAccess |
| Relation | 1364-5447, 10.1039/c3dt52580e |
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