A first comparison of solid state and solution structure of a complex between lanthanum nitrate and 1,9-diaza-18-crown-6

Authors
Shestakova, AK Chertkov, VA Schneider, HJ Lysenko, KA
Citation
Ak. Shestakova et al., A first comparison of solid state and solution structure of a complex between lanthanum nitrate and 1,9-diaza-18-crown-6, ORG LETT, 3(3), 2001, pp. 325-327
Citations number
31
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
ORGANIC LETTERS
ISSN journal
15237060 → ACNP
Volume
3
Issue
3
Year of publication
2001
Pages
325 - 327
Database
ISI
SICI code
1523-7060(20010208)3:3<325:AFCOSS>2.0.ZU;2-8
Abstract
[GRAPHICS] The structure of the complex between lanthanum(III)nitrate and 1,9 diaza-18 -crown-6 is analyzed with three independent methods. The conformation obser ved by analysis of vicinal NMR coupling constants in solution agrees with b oth the one found by a single crystal Xray study and with simulations by mo lecular orbital and force field calculations, In the acetonitrile solution, the NMR data show a bent crown conformation with nearly C-2v symmetry, whi ch is stable on the NMR time scale.