An ONIOM study of a guanidinium salt ionic liquid. Experimental and computational characterization of N, N, N', N', N"-pentabutyl-n"- benzylguanidinium bromide

Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences

Volumn 64, Issue 6, 2009, Pages 765-772

  Tanakaa, Masato ^a   Siehla, Hans Ullrich ^a   Viefhausb, Tillmann ^a   Freyc, Wolfgang ^b   Kantlehner, Willi ^c  

^a UNIVERSITY OF ULM   (Germany)

^b UNIVERSITY OF STUTTGART   (Germany)

^c AALEN UNIVERSITY   (Germany)

Author keywords

Guanidinium salts; Ionic liquids; NMR chemical shift calculations; ONIOM calculations; X ray crystallography

Indexed keywords

CHEMICAL SHIFT; CRYSTAL ATOMIC STRUCTURE; IONIC LIQUIDS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; SINGLE CRYSTALS; X RAYS;

13C NMR SPECTROSCOPY; COMPUTATIONAL COSTS; GUANIDINIUM SALTS; INTERACTION ENERGIES; NMR CHEMICAL SHIFTS; OPTIMIZED GEOMETRIES; SINGLE CRYSTAL X-RAY STRUCTURES; X-RAY STRUCTURE DETERMINATIONS;

X RAY CRYSTALLOGRAPHY;

EID: 67749135583     PISSN: 09320776     EISSN: None     Source Type: Journal    
DOI: 10.1515/znb-2009-0624     Document Type: Article

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