Synthesis, NMR, IR, Raman spectra and DFT calculations of 1‐octyl‐1,4‐diazabicyclo [2.2.2] octan‐1‐ium bis(trifluoromethylsulfonyl)imide

•The[C8DABCO+] [(CF3SO2)2N-] IL was prepared by an alkylation reaction.•IL was characterized by 1H-, 13C-, and 19F-NMR, IR and Raman spectroscopies.•Two different cation-anion interactions were predicted for IL in gas phase and in aqueous solution.•NBO and AIM calculations reveal the nature of catio...

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Veröffentlicht in:	Journal of molecular structure 2023-09, Vol.1288, p.135792, Article 135792
Hauptverfasser:	Haddad, Boumediene, Brandán, Silvia Antonia, Fetouhi, Bekhaled, Paolone, Annalisa, Boumediene, Mostefa, Villemin, Didier, Rahmouni, Mustapha, Bresson, Serge
Format:	Artikel
Sprache:	eng
Schlagworte:	1‐octyl‐1,4‐diazabicyclo [2.2.2] octan‐1‐ium bis(trifluoromethanesulfonyl)imide Chemical Sciences DFT calculations DTA IR spectroscopy NMR or physical chemistry Organic chemistry Raman spectroscopy TGA Theoretical and
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