ЯМР-дослідження нерівноважного стану фулерену C60 в N-метил-2-піролідоні

• Datum: 2012
• Hauptverfasser: Karpenko, O.B., Trachevskij, V.V., Filonenko, O.V., Lobanov, V.V., Avdeev, M.V., Tropin, T.V., Kyzyma, O.A., Snegir, S.V.
• Format: Artikel
• Sprache: Ukrainian; English
• Veröffentlicht: Publishing house "Academperiodika" 2012
• Schlagworte: -
• Online Zugang: https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2021213
• Назва журналу: Ukrainian Journal of Physics

The results of 1H~NMR researches concerning the interaction between fullerene С60 and N-methyl-2-pyrrolidone (NMP) molecules in an as-prepared solution are reported. By comparing the spectra for pure NMP and the С60-NMP system, system the formation of a complex between fullerene and solvent molecules is revealed, which is responsible for the time-dependent solvatochromic effect discovered earlier. Different magnitudes of chemical shifts for α-, β-, γ-, and α'-protons in the NMP molecules allowed a hypothesis to be put forward that the interaction in the С60-NMP system occurs through the formation of a donor-acceptor bond between the keto-group of an NMP molecule and a fragment of a С60 molecule. The results of quantum chemical simulation for the С60 · NMP complex with a stoichiometric composition of 1:1 testify to a redistribution of the electron density over the system of bonds in an NMP  molecule induced by a С60 molecule.