Abstract
The inclusion complexes of sulfonated thiacalix[4]arene 1 and calix[6]arene 2 sodium salts with C60 fullerene were investigated by photoluminescence (PL) and quantum-chemical methods. The stoichiometries of calixarene/C60 complexes were found to be 2:1 for 1 and 1:1 for 2. Related quantum-chemical investigations show that C60 fullerene is included in a cavity composed of two half-bowl molecules of 1. The C60 fullerene ball is located deep within the cavity of 2 and the negatively charged sulfonate arms probably inhibit the formation of the bowl-shaped capsule that was observed in the case of 1.
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