The Intermolecular NOE Depends on Isotope Selection: Short Range vs Long Range Behavior
| Autor: | Alea Quant, Othmar Steinhauser, Franca Castiglione, Christian Schröder, Philipp Honegger, Chiara Vaccarini, Andrea Mele, Maria Enrica Di Pietro |
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| Rok vydání: | 2021 |
| Předmět: |
NMR spectroscopy
NOE spectral density short-range long-range nuclear Overhauser effect Physics nuclear Overhauser effect Letter Isotope Intermolecular force short-range Nuclear Overhauser effect long-range Range (mathematics) NMR spectroscopy Chemical physics spectral density Molecule General Materials Science Physical and Theoretical Chemistry Selection (genetic algorithm) NOE |
| Zdroj: | The Journal of Physical Chemistry Letters |
| ISSN: | 1948-7185 |
| Popis: | The nuclear Overhauser effect (NOE) is a powerful tool in molecular structure elucidation, combining the subtle chemical shift of NMR and three-dimensional information independent of chemical connectivity. Its usage for intermolecular studies, however, is fundamentally limited by an unspecific long-ranged interaction behavior. This joint experimental and computational work shows that proper selection of interacting isotopes can overcome these limitations: Isotopes with strongly differing gyromagnetic ratios give rise to short-ranged intermolecular NOEs. In this light, existing NOE experiments need to be re-evaluated and future ones can be designed accordingly. Thus, a new chapter on intermolecular structure elucidation is opened. |
| Databáze: | OpenAIRE |
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