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NMR spectroscopy and DFT calculations of a self-assembled arene ruthenium rectangle obtained from a combination of coordination and hydrogen bonds
Auteur(s)
Appavoo, Divambal
Raja, Nandhagopal
Carnevale, Diego
In
Dalton Transactions, The Royal Society of Chemistry, 2016/45/4/1410-1421
Mots-clés
Résumé
The hydrogen-bonded arene ruthenium metalla-rectangle, [(p-cymene) <sub>2</sub>Ru<sub>2</sub>(OOnOO)(UPy)<sub>2</sub>]<sub>2</sub><sup>4+ </sup>, obtained from 1-(4-oxo-6-undecyl-1,4-dihydropyrimidin-2-yl)-3-(pyridin-4- ylmethyl)urea (UPy) and the dinuclear arene ruthenium clip (p-cymene) <sub>2</sub>Ru<sub>2</sub>(OOnOO)Cl<sub>2</sub> (OOnOO = 2,5-dioxido-1,4- benzoquinonato), is investigated by means of solution-phase NMR spectroscopy. Rotating frame nuclear Overhauser effect measurements are used to probe the H- bond network that drives the UPy self-assembly as well as the full rectangular supramolecular system. An effective distance that takes into account both intra-and intermolecular polarization-transfer pathways is utilised for data analysis. The experimental findings are corroborated by DFT calculations of NMR parameters and internuclear distances, thus confirming the formation of a very stable tetranuclear metalla-assembly.
Identifiants
Type de publication
journal article
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