Redistribution of electron density in pyridinium and pyrazinium guests induced by complexation with cucurbit[6]uril
| Authors | |
|---|---|
| Year of publication | 2011 |
| Type | Article in Periodical |
| Magazine / Source | New Journal of Chemistry |
| MU Faculty or unit | |
| Citation | |
| Web | DOI: 10.1039/C1NJ20631A |
| Doi | http://dx.doi.org/10.1039/c1nj20631a |
| Field | Physical chemistry and theoretical chemistry |
| Keywords | supramolecular chemistry; nuclear magnetic shielding; density-functional theory; point charges; electrostatic repulsion; |
| Attached files | |
| Description | Complexes of cucurbit[6]uril with pyridinium and pyrazinium guests were studied by using 1H, 13C, and 15N NMR spectroscopy. Complexation induced chemical shifts of guests, which do not follow generally accepted rules, were rationalized using quantum chemical calculations. |
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