Abstract

The binding of the L-proline (Pro) amino acid with β-cyclodextrin (β-CD) was investigated theoretically by B3LYP/3-21G+ method and experimentally by UV–visible and FTIR techniques. Two modes of complexation were considered for studying such complex; in A complex the pyrrolidine ring of the guest was directed toward secondary hydroxyls of β-CD, while in B complex the pyrrolidine was directed toward primary one.
Energetic analysis indicates that the formed complexes are stable and both host and guest were deformed after complex-ation. Electronic properties given by TD-DFT calculation and NBO analysis clearly demonstrate that a charge transfer was occurring between Pro and β-CD molecules.

Information

Item Type:	Journal
Divisions:	» Faculty of Natural Sciences and Life
ePrint ID:	738
Date Deposited:	2017-05-24
Further Information:	Google Scholar
URI:	https://www.univ-soukahras.dz/en/publication/article/738

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