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6.
Encapsulation of aminopyridines by α- and β-cyclodextrins: Spectral
and theoretical studies
J. Thulasidhasan, M. Karthick and N. Rajendiran*
Department of Chemistry, Annamalai University, Annamalai Nagar–608
002, Tamil nadu, India.
* -Corresponding author:
drrajendiran@rediffmail.com,
Fax: +91 4144 238080, Phone: +91 94866 28800.
Abstract:
The
inclusion complexes of 2-aminopyridine (2AP), 3-aminopyridine
(3AP) and 4-aminopyridine (4AP) with α-cyclodextrin (α-CD) and
β-cyclodextrin (β-CD) have been characterized by SEM, FT-IR and
1HNMR, UV-Visible, steady-state and time-resolved
fluorescence and semi-empirical methods. The binding constant of
the inclusion complexes were evaluated from Benesi-Hildebrand
plot. Semi-empirical calculation for the geometry of the
molecules reveals that all the AP molecules involved in
host-guest complex formation with α-CD and β-CD in different
configurations. To find the most favorable structure, the
geometry of complex was investigated by molecular modeling
approach employing the semi-empirical PM3 calculations.
Keywords: Aminopyridines, Inclusion Complex, Supramolecular
Chemistry, Semi-empirical calculation.
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