Proof of ion-pair structures in ammonium-based protic ionic liquids using combined NMR and DFT/PCM-based chemical shift calculations

Author:

Lozynski M.1234,Pernak J.1234,Gdaniec Z.5674,Gorska B.1234,Béguin F.1234ORCID

Affiliation:

1. Faculty of Chemical Technology

2. Poznan University of Technology

3. 60-965 Poznan

4. Poland

5. Institute of Bioorganic Chemistry

6. Polish Academy of Sciences

7. 61-704 Poznan

Abstract

The self-assembly of triethylammonium bis(trifluoromethylsulfonyl)imide, i.e. [(C2H5)3NH][TFSI], in chloroform and aqueous solutions has been investigated using 1H NMR spectroscopy and computational (DFT/PCM prediction) methods.

Funder

Narodowe Centrum Nauki

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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