title: A first comparison of solid state and solution structure of a complex between lanthanum nitrate and 1,9-diaza-18-crown-6.
abstract: [figure: see text] The structure of the complex between lanthanum(III)nitrate and 1,9-diaza-18-crown-6 is analyzed with three independent methods. The conformation observed by analysis of vicinal NMR coupling constants in solution agrees with both the one found by a single crystal X-ray study and with simulations by molecular orbital and force field calculations. In the acetonitrile solution, the NMR data show a bent crown conformation with nearly C2v symmetry, which is stable on the NMR time scale.
authors: FR 11.2 Organische Chemie, Universität des Saarlandes, D-66041 Saarbrücken, Germany.
authors: A K
authors: AK
authors: Shestakova
authors: V A
authors: VA
authors: Chertkov
authors: H J
authors: HJ
authors: Schneider
authors: K A
authors: KA
authors: Lysenko