A First Comparison of Solid State and Solution Structure of a Complex between Lanthanum Nitrate and 1,9-Diaza-18-crown-6

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 Xray study and with simulations by mo...

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Bibliographic Details
Published in:Organic letters 2001-02, Vol.3 (3), p.325-327
Main Authors: Shestakova, Alla K, Chertkov, Vyacheslav A, Schneider, Hans-Jörg, Lysenko, Konstantin A
Format: Article
Language:English
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Summary: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 Xray 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 C 2 v symmetry, which is stable on the NMR time scale.
ISSN:1523-7060
1523-7052
DOI:10.1021/ol006686h