ISSN:
1434-4475
Schlagwort(e):
Conformational analysis
;
Helix interconversion
;
Diastereomers
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Abstract Using a force field previously described, the energy hypersurface around the global energy minimum of the (Z,Z,Z)-Octamethylbilatriene-abc1 was investigated with respect to the torsion angles at positions 5, 9 and 14 yielding informations on the geometry of the global minimum and the transition paths between enantiomeric conformers. The geometry of the most stable conformations were calculated for the diastereomers of1 as well as for the peripherally unsubstituted3 and the N-methylated derivatives4, 5 and6. The conformational behaviour and the relative stabilities of the diastereomers turned out to be dominated by the influence of the peripheral substitution (alkylgroup “backbone”). The results are in good agreement with earlier experimental results.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF00899782
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