Complexing of cyclodextrins and their derivatives with fullerene С60
Анотація
There has been investigated the impact of substituent’s nature on thermodynamic stability of “host-guest” complexes between С60 fullerene and some γ-cyclodextrin derivatives by ММ+ molecular dynamics method and PM3 semi-empirical quantum chemical method. There have been computed theoretical IR- and UV-spectra of the complexes. There have been found the value of stability constants as well as the values of isobar-isotherm and isochoric-isotherm potentials.
Посилання
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