Molecular mechanics methods will be applied to the study of the complexation process within cyclodextrins (CD) to prove that van del Waals' interactions are responsible for this complexation. More precisely, the reasons producing bimodal complexes between CD and different substrates will be studied. The theoretical conformational analysis of alfa-CD will be undertaken to learn why this molecule adopt a conformation with one glucose ring lying in the equatorial molecular plane. Finally, the inclusion complexes between Beta-Cd and quiral molecules will be theoretically and experimentally studied
|Effective start/end date||1/04/91 → 31/03/92|
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