| title: | Investigation of the acid-base equilibria and tautomerism of compounds and their mixtures in various solvents by NMR |
|---|---|
| reg no: | ETF5254 |
| project type: | Estonian Science Foundation research grant |
| subject: |
1.8. Molecular Biology |
| status: | completed |
| institution: | University of Tartu |
| head of project: | Vahur Mäemets |
| duration: | 01.01.2002 - 31.12.2005 |
| description: | The purpose of this project is the investigation of the form of existence or equilibrium between the different forms of the compound in the solution. One problem investigated is the acid-base equilibria of compounds, especially superacids and superbases in solution and the dependence of this equilibrium from the medium applied. The main object of the investigation is the structure and position of the acidic or basic centre in the molecule of different compounds. Alongside with the qualitative analysis of the solutions the second object investigated is the quantitative composition of the solutions from the viewpoint of the acid-base equilibria, i.e the determination of the ratios between different forms of the substance and the determination of the pKa of compounds using the NMR spectra of them. The second main purpose of the project is the application of NMR for the investigation of the tautomerism of compounds. The prototropic tautomerism of protons bonded to the electronegative atom or centre and the isomerism of double bonds in the molecule will be investigated. The isomerism of the phosphonium compounds and keto-enol tautomerism of ketones, including diketones and phenol-ketone equilibria in different solvents will be investigated, where the quantities of the different forms are largely dependent from the solvent used. It is expected that the investigation of the sources of superacidity and superbacicity of compounds and their tautomerism in different solvents and keeping in mind that these phenomenones are very important factors which are determing the reactivity of compounds, will contribute to the evaluation and application of new innovative methods in the synthesis. |
| project group | ||||
|---|---|---|---|---|
| no | name | institution | position | |
| 1. | Aime Lust | TÜ KFI | scientist | |
| 2. | Vahur Mäemets | Centre of Strategic Competence of University of Tartu | scientist | |