0000000000956378
AUTHOR
Adlane Sayede
Host–guest inclusion complexes between peracetylated β-cyclodextrin and diphenyl(4-phenylphenyl)phosphine : computational studies
PM3 and molecular dynamic calculations were performed upon the inclusion complexation of peracetylated β-cyclodextrin (Per-Ac-β-CD) with diphenyl(4-phenylphenyl)phosphine (DBP). Results show that the 4-phenylphenyl part of the DBP phosphine fits tightly in the cavity of the Per-Ac-β-CD, leading to the formation of stable inclusion complexes. Complexation energies indicate that the complex formed via the primary side of the Per-Ac-β-CD is more stable than that formed via the secondary side. Electrostatic potential mapping and frontier orbital analysis suggest that van der Waals interaction constitute a major driving force in the complexation of the DBP and Per-Ac-β-CD.
Peracetylated β‐cyclodextrin as solubilizer of arylphosphines in supercritical carbon dioxide
Abstract Effect of peracetylated β-cyclodextrin on the solubility of diphenyl(4-phenylphenyl)phosphine in supercritical carbon dioxide medium has been investigated. As shown by gravimetric measurements, the presence of cyclodextrin (CD) (1 equivalent) allows to increase the solubility of phosphine (P) in supercritical carbon dioxide (scCO 2 ) (40 °C, 35.2 MPa, nominal system density 0.89 g/mL). This solubility enhancement was attributed to host–guest interactions in scCO 2 as the P was recovered in the form of an inclusion complex. Furthermore, a diffuse reflectance spectroscopy study on the samples recovered after the experiments and on various CD/P solid mixtures obtained by co-grinding i…