Abstract
Supramolecular complexation of [60]- and [70]fullerenes with 37-allyl-38,39,40,41,42-pentahydroxy-5,11,17,23,29,35-hexa(4- tert butyl)calix[6]arene ( I) has been studied in CCl 4 medium by NMR spectrometric method. All of the complexes are found to be stable with 1:1 stoichiometry. Formation constants ( K) of the above supramolecular complexes have been determined from systematic variation of NMR chemical shifts of specific protons of I in the presence of [60]- and [70]fullerenes. Trends in the K value suggest that [70]fullerene binds more strongly with I relative to [60]fullerene. Both PM3 and ab initio calculations reveal that the intermolecular interaction in the [70]fullerene/ I complex proceeds through quite deep energy minima.
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