Conformational behaviour of N-tosyl-substituted diaza crown ethers

Authors
Grotjahn, M Kleinpeter, E
Citation
M. Grotjahn et E. Kleinpeter, Conformational behaviour of N-tosyl-substituted diaza crown ethers, J MOL MODEL, 5(12), 1999, pp. 296-301
Citations number
9
Categorie Soggetti
Chemistry & Analysis",Chemistry
Journal title
JOURNAL OF MOLECULAR MODELING
ISSN journal
16102940 → ACNP
Volume
5
Issue
12
Year of publication
1999
Pages
296 - 301
Database
ISI
SICI code
1610-2940(1999)5:12<296:CBONDC>2.0.ZU;2-B
Abstract
The conformational analysis of N-tosyl-substituted diaza crown ethers 1 - 4 by means of NMR spectroscopy and molecular modelling is described. The str uctures of 1 - 4 were investigated theoretically by empirical and semiempir ical methods using MSI/DISCOVER97 (ESFF force field) and MOPAC (PM3). Concl usions about preferred conformations are drawn.