Taenzler, Phillip Johannes; Sadeghian, Keyarash und Ochsenfeld, Christian
(2019):
Theoretical investigations of the hydrogen bond in a tetraamido/diamino quaternized macrocycle.
In: Molecular Physics, Bd. 117, Nr. 9-12: S. 1276-1286
Volltext auf 'Open Access LMU' nicht verfügbar.
Abstract
We present theoretical investigations on the nature and persistence of the strong central hydrogen bond of a tetraamido/diamino quaternized macrocycle. Our theoretical study of the NMR properties of the central hydrogen bond proved difficult to reconcile with the available experimental results, suggesting the possibility of the non-persistence of the central hydrogen bond of the macrocycle in solution. We demonstrate alternative scenarios, in which a tautomerization of the macrocycle in solution gives rise to the experimentally observed NMR shifts. [GRAPHICS] .
Dokumententyp: | Zeitschriftenartikel |
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Fakultät: | Chemie und Pharmazie > Department Chemie |
Themengebiete: | 500 Naturwissenschaften und Mathematik > 540 Chemie |
ISSN: | 0026-8976 |
Sprache: | Englisch |
Dokumenten ID: | 83361 |
Datum der Veröffentlichung auf Open Access LMU: | 15. Dez. 2021, 15:07 |
Letzte Änderungen: | 15. Dez. 2021, 15:07 |