Dihydrogen contacts observed by through-space indirect NMR coupling
| Autor: | Ivo Starý, Michal Buchta, Martin Dračínský, Miloš Buděšínský, Olga L. Malkina, Jana Vacek-Chocholoušová, Irena G. Stará |
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| Rok vydání: | 2017 |
| Předmět: |
Coupling
Quantitative Biology::Biomolecules Materials science Hydrogen 010405 organic chemistry chemistry.chemical_element General Chemistry 010402 general chemistry Space (mathematics) 01 natural sciences Molecular conformation 0104 chemical sciences Chemistry chemistry Chemical physics Covalent bond Molecule |
| Zdroj: | Chemical Science |
| ISSN: | 2041-6520 |
| Popis: | Through-space NMR indirect couplings between hydrogen atoms formally separated by 18 covalent bonds have been detected. The coupling pathway has been visualised and analysed by computational methods. “Through-space” indirect spin–spin couplings between hydrogen atoms formally separated by up to 18 covalent bonds have been detected by NMR experiments in model helical molecules. It is demonstrated that this coupling can provide crucial structural information on the molecular conformation in solution. The coupling pathways have been visualised and analysed by computational methods. The conformational dependence of the coupling is explained in terms of orbital interactions. |
| Databáze: | OpenAIRE |
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