title: Coordination of terpyridine to Li+ in two different ionic liquids.
abstract: On the basis of (7)Li NMR experiments, the complex-formation reaction between Li(+) and the tridentate N-donor ligand terpyridine was studied in the ionic liquids [emim][NTf2] and [emim][ClO4] as solvents. For both ionic liquids, the NMR data implicate the formation of [Li(terpy)2](+). Density functional theory calculations show that partial coordination of terpyridine involving the coordination of a solvent anion can be excluded. In contrast to the studies in solution, X-ray diffraction measurements led to completely different results. In the case of [emim][NTf2], the polymeric lithium species [Li(terpy)(NTf2)]n was found to control the stacking of this complex, whereas crystals grown from [emim][ClO4] exhibit the discrete dimeric species [Li(terpy)(ClO4)]2. However, both structures indicate that each lithium ion is formally coordinated by one terpy molecule and one solvent anion in the solid state, suggesting that charge neutralization and π stacking mainly control the crystallization process.
authors.affiliation: Inorganic Chemistry, Department of Chemistry and Pharmacy, University of Erlangen-Nürnberg , Egerlandstrasse 1, 91058 Erlangen, Germany.
authors.forename: Klaus
authors.initials: K
authors.lastname: Pokorny
authors.forename: Matthias
authors.initials: M
authors.lastname: Schmeisser
authors.forename: Frank
authors.initials: F
authors.lastname: Hampel
authors.forename: Achim
authors.initials: A
authors.lastname: Zahl
authors.forename: Ralph
authors.initials: R
authors.lastname: Puchta
authors.forename: Rudi
authors.initials: R
authors.lastname: van Eldik