Abstract
The conformational analysis of N-tosyl-substituted diaza crown ethers 1 - 4 by means of NMR spectroscopy and molecular modelling is described. The structures of 1 - 4 were investigated theoretically by empirical and semiempirical methods using MSI/DISCOVER97 (ESFF force field) and MOPAC (PM3). Conclusions about preferred conformations are drawn.
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Grotjahn, M., Kleinpeter, E. Conformational Behaviour of N-tosyl-substituted Diaza Crown Ethers. J Mol Model 5, 296–301 (1999). https://doi.org/10.1007/s0089490050296
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DOI: https://doi.org/10.1007/s0089490050296