PM3 was applied to the complexation of α-cyclodextrin with benzaldehyde and acetophenone satisfactorily. The results, in agreement with the experimental observations, suggest that the orientation in which the substituent groups of the guest compounds located near the secondary hydroxyls of the α-cyclodextrin cavity was favorable in energy for both α-cyclodextrin–benzaldehyde and α-cyclodextrin–acetophenone complexes.
No takes yet. Share an insight, caveat, or question.
Liu et al. (2000) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: