title: | The studies of steric interactions by high field NMR multinuclear spectroscopy |
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reg no: | ETF6778 |
project type: | Estonian Science Foundation research grant |
subject: |
1.6. Physical, Analytical and Inorganic Chemistry |
status: | accepted |
institution: | Institute of Chemical Physics and Biophysics |
head of project: | Tõnis Pehk |
duration: | 01.01.2006 - 31.12.2009 |
description: | Present project is connected with the NMR studies of steric interactions in organic molecules. For the determination of absolute configurations via the anisotropic long range shielding effects all chemical shifts of 1H and 13C nuclei are unambiguously assigned by the 2D FT NMR methods. Method is applied on the compounds with the multiple chiral centres, with different functional groups and with the different derivatization agents. For the interpretation of observed different long range effects quantum chemistry calculations are used. Connections between the steric interactions and long range 13C-1H coupling constants are studied by the 2D FT correlation method with the selective single proton excitation scheme, which results in coupling constant values for all carbon atoms of the molecule. These results are used for the optimization of 1D NMR selective polarization transfer experiments. Steric effects on keto-enol tautomerism in alicyclic 1,3-diketones are studied, regularities in anisotropic reorientation effects for the chemical shift assignments in substituted polycyclic aromatic compounds are elaborated, the structure and interactions in ionic liquids are studied, steric interactions in metalloorganic complexes are investigated, long range effects in natural and synthetic polymer chains are measured. |
project group | ||||
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no | name | institution | position | |
1. | Ene Kiirend | |||
2. | Tõnis Pehk | Keemilise ja Bioloogilise Füüsika Instituut | ||
3. | Sirje Vija |